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CAS 2827-45-4 2,4-Diamino-6-methoxy-1,3,5-triazine molecular structure lightbox
CAS RN: 2827-45-4

2,4-Diamino-6-methoxy-1,3,5-triazine

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260504 1g In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250505 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250402 5g In stock Shenzhen Inquiry
  • Product code: ICTD2232
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2827-45-4 / 6-methoxy-1,3,5-triazine-2,4-diamine

Standard CAS: 2827-45-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2827-45-4
Multi CAS
No
Molecular Formula
C4H7N5O
Molecular Weight
141.130000
Exact Mass
141.065060
InChI
InChI=1S/C4H7N5O/c1-10-4-8-2(5)7-3(6)9-4/h1H3,(H4,5,6,7,8,9)
InChIKey
XVMFICQRQHBOOT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
2
Molar refractivity
35.2
TPSA
99.94

LogP / Solubility

WLOGP
-0.96
MLOGP
-0.85
XLogP3
-0.4
Consensus LogP
-0.74
Log S (ESOL)
-0.49
Class (ESOL)
Very soluble
Log S (Ali)
-0.03
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.1
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.26

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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