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

C16H22N4O — CID 136803043

IUPAC4-[(1-amino-2-phenylpropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC(C)(CN)c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C16H22N4O/c1-11(2)15-18-13(9-14(21)19-15)20-16(3,10-17)12-7-5-4-6-8-12/h4-9,11H,10,17H2,1-3H3,(H2,18,19,20,21)
InChIKeyKFNYLZMXLLSIHA-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.18
Rot. Bonds5

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

4-[(1-amino-2-phenylpropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136803043) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[(1-amino-2-phenylpropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-amino-2-phenylpropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136803043
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-[(1-amino-2-phenylpropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC(C)(CN)c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C16H22N4O/c1-11(2)15-18-13(9-14(21)19-15)20-16(3,10-17)12-7-5-4-6-8-12/h4-9,11H,10,17H2,1-3H3,(H2,18,19,20,21)
InChIKeyKFNYLZMXLLSIHA-UHFFFAOYSA-N
XLogP2.18
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(1-amino-2-phenylpropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-[(1-amino-2-phenylpropan-2-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136803039
4-[(5-amino-2,2-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136857346
4-[(2-aminophenyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136979430
2-ethyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136959297
4-(3-phenoxypropylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136975368
2-cyclopropyl-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136803028
2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetamide
CID 136973538
4-(2,3-dimethylbutylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137016485
4-(2,2-difluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976580
4-[(2-amino-2-cyclopropylethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136989480
4-(2-cyclopropylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976147
4-[(3-amino-2-methylphenyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136713562

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-2-phenylpropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-amino-2-phenylpropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136803043) is 4-[(1-amino-2-phenylpropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-amino-2-phenylpropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-amino-2-phenylpropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NC(C)(CN)c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 4-[(1-amino-2-phenylpropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is KFNYLZMXLLSIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(2)15-18-13(9-14(21)19-15)20-16(3,10-17)12-7-5-4-6-8-12/h4-9,11H,10,17H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-[(1-amino-2-phenylpropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(1-amino-2-phenylpropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 286.38 g/mol, XLogP of 2.18, 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-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136803043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).