4-(methylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one

C13H21N3O — CID 135978267

IUPAC4-(methylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one
SMILESCNCc1cc(=O)[nH]c(C2CCCC(C)C2)n1
InChIInChI=1S/C13H21N3O/c1-9-4-3-5-10(6-9)13-15-11(8-14-2)7-12(17)16-13/h7,9-10,14H,3-6,8H2,1-2H3,(H,15,16,17)
InChIKeyHFPSICOATCEIAU-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.78
Rot. Bonds3

About 4-(methylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one

4-(methylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one (PubChem CID 135978267) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(methylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(methylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one
PubChem CID135978267
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-(methylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one
SMILESCNCc1cc(=O)[nH]c(C2CCCC(C)C2)n1
InChIInChI=1S/C13H21N3O/c1-9-4-3-5-10(6-9)13-15-11(8-14-2)7-12(17)16-13/h7,9-10,14H,3-6,8H2,1-2H3,(H,15,16,17)
InChIKeyHFPSICOATCEIAU-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(methylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one (CID 135978267) is 4-(methylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(methylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(methylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one is CNCc1cc(=O)[nH]c(C2CCCC(C)C2)n1.
What is the InChIKey of 4-(methylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one?
The InChIKey is HFPSICOATCEIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-4-3-5-10(6-9)13-15-11(8-14-2)7-12(17)16-13/h7,9-10,14H,3-6,8H2,1-2H3,(H,15,16,17).
What are the key properties of 4-(methylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one?
4-(methylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one has a molecular weight of 235.33 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135978267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).