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CAS 77768-02-6 2-Pyrimidinecarbonitrile, 4-methyl- (9CI) molecular structure lightbox
CAS RN: 77768-02-6

2-Pyrimidinecarbonitrile, 4-methyl- (9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260608 200mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-187266
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 0.1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 77768-02-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 3 In Stock Shanghai Inquiry
0.25g >97% 2 In Stock Hong Kong Inquiry
0.1g >97% 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry

77768-02-6 / 4-methylpyrimidine-2-carbonitrile

Standard CAS: 77768-02-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
77768-02-6
Multi CAS
Yes
Molecular Formula
C6H5N3
Molecular Weight
119.120000
Exact Mass
119.048347
InChI
InChI=1S/C6H5N3/c1-5-2-3-8-6(4-7)9-5/h2-3H,1H3
InChIKey
XXQWGLMZNGIYQY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
3
Molar refractivity
31.48
TPSA
49.57

LogP / Solubility

WLOGP
0.66
MLOGP
0.57
XLogP3
0.7
Consensus LogP
0.64
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.98
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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