4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one

C12H19N3O2 — CID 136746830

IUPAC4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC2CCCCC2CO)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-8-13-11(6-12(17)14-8)15-10-5-3-2-4-9(10)7-16/h6,9-10,16H,2-5,7H2,1H3,(H2,13,14,15,17)
InChIKeyNJVDSJPKNCWJBT-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.04
Rot. Bonds3

About 4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one

4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136746830) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136746830
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC2CCCCC2CO)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-8-13-11(6-12(17)14-8)15-10-5-3-2-4-9(10)7-16/h6,9-10,16H,2-5,7H2,1H3,(H2,13,14,15,17)
InChIKeyNJVDSJPKNCWJBT-UHFFFAOYSA-N
XLogP1.04
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-[(4-hydroxycyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136695137
4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136704097
2-cyclopropyl-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704098
2-ethyl-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704104
2-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746818
4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methyl-1H-pyrimidin-6-one
CID 136746819
4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136746822
2-cyclopropyl-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746825
2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136746829
4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136746833
2-cyclopropyl-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136746836
4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136746839

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one (CID 136746830) is 4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NC2CCCCC2CO)cc(=O)[nH]1.
What is the InChIKey of 4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is NJVDSJPKNCWJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-13-11(6-12(17)14-8)15-10-5-3-2-4-9(10)7-16/h6,9-10,16H,2-5,7H2,1H3,(H2,13,14,15,17).
What are the key properties of 4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one?
4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136746830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).