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

C12H19N3O2 — CID 136859481

IUPAC4-[(2-hydroxycyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(C)C2CCCCC2O)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-8-13-11(7-12(17)14-8)15(2)9-5-3-4-6-10(9)16/h7,9-10,16H,3-6H2,1-2H3,(H,13,14,17)
InChIKeyAPJJLQDHLMAXSR-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.82
Rot. Bonds2

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

4-[(2-hydroxycyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136859481) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[(2-hydroxycyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-hydroxycyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136859481
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[(2-hydroxycyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(C)C2CCCCC2O)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-8-13-11(7-12(17)14-8)15(2)9-5-3-4-6-10(9)16/h7,9-10,16H,3-6H2,1-2H3,(H,13,14,17)
InChIKeyAPJJLQDHLMAXSR-UHFFFAOYSA-N
XLogP0.82
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxycyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-hydroxycyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one (CID 136859481) is 4-[(2-hydroxycyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-hydroxycyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-hydroxycyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N(C)C2CCCCC2O)cc(=O)[nH]1.
What is the InChIKey of 4-[(2-hydroxycyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is APJJLQDHLMAXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-13-11(7-12(17)14-8)15(2)9-5-3-4-6-10(9)16/h7,9-10,16H,3-6H2,1-2H3,(H,13,14,17).
What are the key properties of 4-[(2-hydroxycyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one?
4-[(2-hydroxycyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxycyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136859481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).