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

C16H20N4O — CID 136803039

IUPAC4-[(1-amino-2-phenylpropan-2-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCC(CN)(Nc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1
InChIInChI=1S/C16H20N4O/c1-16(10-17,12-5-3-2-4-6-12)20-13-9-14(21)19-15(18-13)11-7-8-11/h2-6,9,11H,7-8,10,17H2,1H3,(H2,18,19,20,21)
InChIKeyXORPOHIVRUIDBW-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.93
Rot. Bonds5

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

4-[(1-amino-2-phenylpropan-2-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136803039) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(1-amino-2-phenylpropan-2-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-amino-2-phenylpropan-2-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136803039
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-[(1-amino-2-phenylpropan-2-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCC(CN)(Nc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1
InChIInChI=1S/C16H20N4O/c1-16(10-17,12-5-3-2-4-6-12)20-13-9-14(21)19-15(18-13)11-7-8-11/h2-6,9,11H,7-8,10,17H2,1H3,(H2,18,19,20,21)
InChIKeyXORPOHIVRUIDBW-UHFFFAOYSA-N
XLogP1.93
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(1-amino-2-phenylpropan-2-yl)amino]-2-cyclopropyl-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 4-[(1-amino-2-phenylpropan-2-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-amino-2-phenylpropan-2-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one (CID 136803039) is 4-[(1-amino-2-phenylpropan-2-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-amino-2-phenylpropan-2-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-amino-2-phenylpropan-2-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one is CC(CN)(Nc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1.
What is the InChIKey of 4-[(1-amino-2-phenylpropan-2-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is XORPOHIVRUIDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-16(10-17,12-5-3-2-4-6-12)20-13-9-14(21)19-15(18-13)11-7-8-11/h2-6,9,11H,7-8,10,17H2,1H3,(H2,18,19,20,21).
What are the key properties of 4-[(1-amino-2-phenylpropan-2-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
4-[(1-amino-2-phenylpropan-2-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 284.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-2-phenylpropan-2-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136803039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).