5-cyclohexyl-2-(methylaminomethyl)-1H-pyrimidin-6-one

C12H19N3O — CID 84686970

IUPAC5-cyclohexyl-2-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCNCc1ncc(C2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C12H19N3O/c1-13-8-11-14-7-10(12(16)15-11)9-5-3-2-4-6-9/h7,9,13H,2-6,8H2,1H3,(H,14,15,16)
InChIKeyNLKHRPVZBFHXRU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.54
Rot. Bonds3

About 5-cyclohexyl-2-(methylaminomethyl)-1H-pyrimidin-6-one

5-cyclohexyl-2-(methylaminomethyl)-1H-pyrimidin-6-one (PubChem CID 84686970) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-cyclohexyl-2-(methylaminomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclohexyl-2-(methylaminomethyl)-1H-pyrimidin-6-one
PubChem CID84686970
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-cyclohexyl-2-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCNCc1ncc(C2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C12H19N3O/c1-13-8-11-14-7-10(12(16)15-11)9-5-3-2-4-6-9/h7,9,13H,2-6,8H2,1H3,(H,14,15,16)
InChIKeyNLKHRPVZBFHXRU-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-(methylaminomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclohexyl-2-(methylaminomethyl)-1H-pyrimidin-6-one (CID 84686970) is 5-cyclohexyl-2-(methylaminomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclohexyl-2-(methylaminomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclohexyl-2-(methylaminomethyl)-1H-pyrimidin-6-one is CNCc1ncc(C2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 5-cyclohexyl-2-(methylaminomethyl)-1H-pyrimidin-6-one?
The InChIKey is NLKHRPVZBFHXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-13-8-11-14-7-10(12(16)15-11)9-5-3-2-4-6-9/h7,9,13H,2-6,8H2,1H3,(H,14,15,16).
What are the key properties of 5-cyclohexyl-2-(methylaminomethyl)-1H-pyrimidin-6-one?
5-cyclohexyl-2-(methylaminomethyl)-1H-pyrimidin-6-one has a molecular weight of 221.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-(methylaminomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 84686970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).