4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one

C12H19N3O — CID 136794537

IUPAC4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(CNc2cc(=O)[nH]cn2)CCCCC1
InChIInChI=1S/C12H19N3O/c1-12(5-3-2-4-6-12)8-13-10-7-11(16)15-9-14-10/h7,9H,2-6,8H2,1H3,(H2,13,14,15,16)
InChIKeyHBMUODZKOZOZNO-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.15
Rot. Bonds3

About 4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one

4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136794537) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136794537
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(CNc2cc(=O)[nH]cn2)CCCCC1
InChIInChI=1S/C12H19N3O/c1-12(5-3-2-4-6-12)8-13-10-7-11(16)15-9-14-10/h7,9H,2-6,8H2,1H3,(H2,13,14,15,16)
InChIKeyHBMUODZKOZOZNO-UHFFFAOYSA-N
XLogP2.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(octylamino)-1H-pyrimidin-6-one
CID 136333761
4-(3,3,5,5-tetramethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136482268
4-(4-methylpentylamino)-1H-pyrimidin-6-one
CID 136956261
2-amino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one
CID 135469314
4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701823
4-[2-(2-aminoethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704110
4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136723585
4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136733820
4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750479
4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136762618
4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768846
2-methyl-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136786651

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one (CID 136794537) is 4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one is CC1(CNc2cc(=O)[nH]cn2)CCCCC1.
What is the InChIKey of 4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is HBMUODZKOZOZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(5-3-2-4-6-12)8-13-10-7-11(16)15-9-14-10/h7,9H,2-6,8H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 221.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136794537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).