2-cyclopropyl-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyrimidin-6-one

C17H21N3O — CID 136975163

IUPAC2-cyclopropyl-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyrimidin-6-one
SMILESCC(C)c1ccc(CNc2cc(=O)[nH]c(C3CC3)n2)cc1
InChIInChI=1S/C17H21N3O/c1-11(2)13-5-3-12(4-6-13)10-18-15-9-16(21)20-17(19-15)14-7-8-14/h3-6,9,11,14H,7-8,10H2,1-2H3,(H2,18,19,20,21)
InChIKeyMVEFFWCWELDEPA-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.38
Rot. Bonds5

About 2-cyclopropyl-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136975163) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136975163
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-cyclopropyl-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyrimidin-6-one
SMILESCC(C)c1ccc(CNc2cc(=O)[nH]c(C3CC3)n2)cc1
InChIInChI=1S/C17H21N3O/c1-11(2)13-5-3-12(4-6-13)10-18-15-9-16(21)20-17(19-15)14-7-8-14/h3-6,9,11,14H,7-8,10H2,1-2H3,(H2,18,19,20,21)
InChIKeyMVEFFWCWELDEPA-UHFFFAOYSA-N
XLogP3.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136973791
2-cyclopropyl-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 136975561
2-cyclopropyl-4-[(1-methylpyrazol-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136974708
4-[(3-bromophenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136974738
2-cyclopropyl-4-[(2-methylpyrazol-3-yl)methylamino]-1H-pyrimidin-6-one
CID 137016422
2-cyclopropyl-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one
CID 137016366
3-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]benzoic acid
CID 136958545
2-cyclopropyl-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 136974262
2-cyclopropyl-6-oxo-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrimidine-4-carboxamide
CID 136982709
2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768845
2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817
4-[(2-chloro-6-methoxyphenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136782373

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyrimidin-6-one (CID 136975163) is 2-cyclopropyl-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyrimidin-6-one is CC(C)c1ccc(CNc2cc(=O)[nH]c(C3CC3)n2)cc1.
What is the InChIKey of 2-cyclopropyl-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is MVEFFWCWELDEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11(2)13-5-3-12(4-6-13)10-18-15-9-16(21)20-17(19-15)14-7-8-14/h3-6,9,11,14H,7-8,10H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-cyclopropyl-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 283.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).