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

C15H17N3O — CID 136973791

IUPAC2-cyclopropyl-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
SMILESCc1ccc(CNc2cc(=O)[nH]c(C3CC3)n2)cc1
InChIInChI=1S/C15H17N3O/c1-10-2-4-11(5-3-10)9-16-13-8-14(19)18-15(17-13)12-6-7-12/h2-5,8,12H,6-7,9H2,1H3,(H2,16,17,18,19)
InChIKeyFYDBVXKNOHXMCR-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.57
Rot. Bonds4

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

2-cyclopropyl-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136973791) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136973791
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-cyclopropyl-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
SMILESCc1ccc(CNc2cc(=O)[nH]c(C3CC3)n2)cc1
InChIInChI=1S/C15H17N3O/c1-10-2-4-11(5-3-10)9-16-13-8-14(19)18-15(17-13)12-6-7-12/h2-5,8,12H,6-7,9H2,1H3,(H2,16,17,18,19)
InChIKeyFYDBVXKNOHXMCR-UHFFFAOYSA-N
XLogP2.57
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136975163
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-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one
CID 137016366
2-cyclopropyl-4-[(2-methylpyrazol-3-yl)methylamino]-1H-pyrimidin-6-one
CID 137016422
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-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768845
2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817
2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one
CID 136977841
2-cyclopropyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)-1H-pyrimidin-6-one
CID 136961774

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one (CID 136973791) is 2-cyclopropyl-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one is Cc1ccc(CNc2cc(=O)[nH]c(C3CC3)n2)cc1.
What is the InChIKey of 2-cyclopropyl-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is FYDBVXKNOHXMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-2-4-11(5-3-10)9-16-13-8-14(19)18-15(17-13)12-6-7-12/h2-5,8,12H,6-7,9H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-cyclopropyl-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 255.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136973791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).