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

C13H21N3O — CID 136786651

IUPAC2-methyl-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCC2CCCC(C)C2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O/c1-9-4-3-5-11(6-9)8-14-12-7-13(17)16-10(2)15-12/h7,9,11H,3-6,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyBNMWUGGCXUEONV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.32
Rot. Bonds3

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

2-methyl-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136786651) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methyl-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136786651
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-methyl-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCC2CCCC(C)C2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O/c1-9-4-3-5-11(6-9)8-14-12-7-13(17)16-10(2)15-12/h7,9,11H,3-6,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyBNMWUGGCXUEONV-UHFFFAOYSA-N
XLogP2.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-(2-butan-2-ylcyclohexyl)-1H-pyrimidin-6-one
CID 175488850
4-amino-2-[(2S)-2-[(2S)-butan-2-yl]cyclohexyl]-1H-pyrimidin-6-one
CID 175915965
2-(3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 61868326
2-(4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 61868971
4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 63613256
2-(4-ethylcyclohexyl)-1H-pyrimidin-6-one
CID 65395577
2-(3-ethylcyclohexyl)-1H-pyrimidin-6-one
CID 65400664
2-(4-propylcyclohexyl)-1H-pyrimidin-6-one
CID 65422889
2-amino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one
CID 135469314
2-methyl-4-(octylamino)-1H-pyrimidin-6-one
CID 135818518
4-(ethylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 135978218
4-(methylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 135978267

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one (CID 136786651) is 2-methyl-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one is Cc1nc(NCC2CCCC(C)C2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is BNMWUGGCXUEONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-4-3-5-11(6-9)8-14-12-7-13(17)16-10(2)15-12/h7,9,11H,3-6,8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-methyl-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
2-methyl-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 235.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136786651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).