4-[(4-methylcycloheptyl)amino]-1H-pyrimidin-6-one

C12H19N3O — CID 136852186

IUPAC4-[(4-methylcycloheptyl)amino]-1H-pyrimidin-6-one
SMILESCC1CCCC(Nc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C12H19N3O/c1-9-3-2-4-10(6-5-9)15-11-7-12(16)14-8-13-11/h7-10H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyCGXYRVJQDUTVOX-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.15
Rot. Bonds2

About 4-[(4-methylcycloheptyl)amino]-1H-pyrimidin-6-one

4-[(4-methylcycloheptyl)amino]-1H-pyrimidin-6-one (PubChem CID 136852186) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[(4-methylcycloheptyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-methylcycloheptyl)amino]-1H-pyrimidin-6-one
PubChem CID136852186
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-[(4-methylcycloheptyl)amino]-1H-pyrimidin-6-one
SMILESCC1CCCC(Nc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C12H19N3O/c1-9-3-2-4-10(6-5-9)15-11-7-12(16)14-8-13-11/h7-10H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyCGXYRVJQDUTVOX-UHFFFAOYSA-N
XLogP2.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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-(2,6-dimethylazepan-1-yl)-1H-pyrimidin-6-one
CID 136382786
4-(4-methylpentylamino)-1H-pyrimidin-6-one
CID 136956261
4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one
CID 159090684
4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one;methane
CID 160966104
4-[(2-amino-1-cyclopentylethyl)amino]-1H-pyrimidin-6-one
CID 136672022
4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701823
4-[2-(2-aminoethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704110
4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 136731500
4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750479
4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136786657
4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136794537

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylcycloheptyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-methylcycloheptyl)amino]-1H-pyrimidin-6-one (CID 136852186) is 4-[(4-methylcycloheptyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-methylcycloheptyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-methylcycloheptyl)amino]-1H-pyrimidin-6-one is CC1CCCC(Nc2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-[(4-methylcycloheptyl)amino]-1H-pyrimidin-6-one?
The InChIKey is CGXYRVJQDUTVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-3-2-4-10(6-5-9)15-11-7-12(16)14-8-13-11/h7-10H,2-6H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-[(4-methylcycloheptyl)amino]-1H-pyrimidin-6-one?
4-[(4-methylcycloheptyl)amino]-1H-pyrimidin-6-one has a molecular weight of 221.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylcycloheptyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136852186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).