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CAS 1462994-89-3 2,4(1H,3H)-Pyrimidinedione, 1-(cyclopropylmethyl)- molecular structure lightbox
CAS RN: 1462994-89-3

2,4(1H,3H)-Pyrimidinedione, 1-(cyclopropylmethyl)-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260418 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1462994-89-3
  • Purity/Analytical Methods: >99.0%
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1462994-89-3 / 1-(cyclopropylmethyl)pyrimidine-2,4-dione

Standard CAS: 1462994-89-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1462994-89-3
Multi CAS
No
Molecular Formula
C8H10N2O2
Molecular Weight
166.180000
Exact Mass
166.074228
SMILES
C1CC1CN2C=CC(=O)NC2=O
InChI
InChI=1S/C8H10N2O2/c11-7-3-4-10(8(12)9-7)5-6-1-2-6/h3-4,6H,1-2,5H2,(H,9,11,12)
InChIKey
UXHKISMNDMCUFJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.05
TPSA
54.86

LogP / Solubility

WLOGP
-0.05
MLOGP
-0.05
Consensus LogP
-0.03
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.94
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)
-3.77

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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