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

C16H19N3O2 — CID 136803028

IUPAC2-cyclopropyl-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCC(CO)(Nc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1
InChIInChI=1S/C16H19N3O2/c1-16(10-20,12-5-3-2-4-6-12)19-13-9-14(21)18-15(17-13)11-7-8-11/h2-6,9,11,20H,7-8,10H2,1H3,(H2,17,18,19,21)
InChIKeyZMVUKGDGRHDGPM-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.97
Rot. Bonds5

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

2-cyclopropyl-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136803028) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136803028
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-cyclopropyl-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCC(CO)(Nc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1
InChIInChI=1S/C16H19N3O2/c1-16(10-20,12-5-3-2-4-6-12)19-13-9-14(21)18-15(17-13)11-7-8-11/h2-6,9,11,20H,7-8,10H2,1H3,(H2,17,18,19,21)
InChIKeyZMVUKGDGRHDGPM-UHFFFAOYSA-N
XLogP1.97
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-4-[(1-hydroxy-2-phenylpropan-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

Related Compounds

4-[(1-amino-2-phenylpropan-2-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136803039
2-cyclopropyl-4-(2-methylpentan-2-ylamino)-1H-pyrimidin-6-one
CID 136977049
2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817
2-cyclopropyl-4-(2-methylbut-3-yn-2-ylamino)-1H-pyrimidin-6-one
CID 136975839
2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768845
2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136976584
3-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]benzoic acid
CID 136958545
4-[(1-amino-2-phenylpropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136803043
2-cyclopropyl-4-[[2-(dimethylamino)-2-methylpropyl]amino]-1H-pyrimidin-6-one
CID 136975056
2-[(6-amino-2-methylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 105060904
2-cyclopropyl-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 136974262
2-[(6-methylsulfanylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 106973096

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-1H-pyrimidin-6-one (CID 136803028) is 2-cyclopropyl-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-1H-pyrimidin-6-one is CC(CO)(Nc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1.
What is the InChIKey of 2-cyclopropyl-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is ZMVUKGDGRHDGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-16(10-20,12-5-3-2-4-6-12)19-13-9-14(21)18-15(17-13)11-7-8-11/h2-6,9,11,20H,7-8,10H2,1H3,(H2,17,18,19,21).
What are the key properties of 2-cyclopropyl-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 285.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136803028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).