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

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Related Compounds

2-cyclopropyl-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136803028
4-[(1-amino-2-phenylpropan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136803043
4-[(4-amino-2,2-dimethylbutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136987597
2-cyclopropyl-4-(2-methylpentan-2-ylamino)-1H-pyrimidin-6-one
CID 136977049
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-[[2-(dimethylamino)-2-methylpropyl]amino]-1H-pyrimidin-6-one
CID 136975056
4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136689846
2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723592
2-cyclopropyl-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 136974262
2-cyclopropyl-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136973791
3-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]benzoic acid
CID 136958545

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).