2-cyclopropyl-4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one

C12H19N3O2 — CID 136977364

IUPAC2-cyclopropyl-4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(CCO)Nc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H19N3O2/c1-12(2,5-6-16)15-9-7-10(17)14-11(13-9)8-3-4-8/h7-8,16H,3-6H2,1-2H3,(H2,13,14,15,17)
InChIKeyVHZHSOFXZLYKNJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.22
Rot. Bonds5

About 2-cyclopropyl-4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136977364) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136977364
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-cyclopropyl-4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(CCO)Nc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H19N3O2/c1-12(2,5-6-16)15-9-7-10(17)14-11(13-9)8-3-4-8/h7-8,16H,3-6H2,1-2H3,(H2,13,14,15,17)
InChIKeyVHZHSOFXZLYKNJ-UHFFFAOYSA-N
XLogP1.22
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one (CID 136977364) is 2-cyclopropyl-4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one is CC(C)(CCO)Nc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is VHZHSOFXZLYKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,5-6-16)15-9-7-10(17)14-11(13-9)8-3-4-8/h7-8,16H,3-6H2,1-2H3,(H2,13,14,15,17).
What are the key properties of 2-cyclopropyl-4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136977364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).