2-cyclopropyl-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one

C15H23N3O2 — CID 136976098

IUPAC2-cyclopropyl-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1CCCC(O)(CNc2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C15H23N3O2/c1-10-3-2-6-15(20,8-10)9-16-12-7-13(19)18-14(17-12)11-4-5-11/h7,10-11,20H,2-6,8-9H2,1H3,(H2,16,17,18,19)
InChIKeyOJCJFKZSVDXEPE-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.00
Rot. Bonds4

About 2-cyclopropyl-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136976098) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136976098
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-cyclopropyl-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1CCCC(O)(CNc2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C15H23N3O2/c1-10-3-2-6-15(20,8-10)9-16-12-7-13(19)18-14(17-12)11-4-5-11/h7,10-11,20H,2-6,8-9H2,1H3,(H2,16,17,18,19)
InChIKeyOJCJFKZSVDXEPE-UHFFFAOYSA-N
XLogP2.00
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136976584
2-cyclopropyl-4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136762614
1-[[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 80915152
2-ethyl-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976085
1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 63962757
2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817
1-[[(6-chloropyrazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 63963822
1-[[(6-amino-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 80647406
3-methyl-1-[[(4-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65118284
4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxane-4-carboxylic acid
CID 136972253
4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973893
2-hydroxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 65123700

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one (CID 136976098) is 2-cyclopropyl-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one is CC1CCCC(O)(CNc2cc(=O)[nH]c(C3CC3)n2)C1.
What is the InChIKey of 2-cyclopropyl-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is OJCJFKZSVDXEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-3-2-6-15(20,8-10)9-16-12-7-13(19)18-14(17-12)11-4-5-11/h7,10-11,20H,2-6,8-9H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-cyclopropyl-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 277.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).