4-[(4-hydroxycyclohexyl)methylamino]-5-methoxy-1H-pyrimidin-6-one

C12H19N3O3 — CID 136823136

IUPAC4-[(4-hydroxycyclohexyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC2CCC(O)CC2)nc[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-18-10-11(14-7-15-12(10)17)13-6-8-2-4-9(16)5-3-8/h7-9,16H,2-6H2,1H3,(H2,13,14,15,17)
InChIKeyCYJQFOQTWLUMCG-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.74
Rot. Bonds4

About 4-[(4-hydroxycyclohexyl)methylamino]-5-methoxy-1H-pyrimidin-6-one

4-[(4-hydroxycyclohexyl)methylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136823136) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[(4-hydroxycyclohexyl)methylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-hydroxycyclohexyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136823136
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-[(4-hydroxycyclohexyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC2CCC(O)CC2)nc[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-18-10-11(14-7-15-12(10)17)13-6-8-2-4-9(16)5-3-8/h7-9,16H,2-6H2,1H3,(H2,13,14,15,17)
InChIKeyCYJQFOQTWLUMCG-UHFFFAOYSA-N
XLogP0.74
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-hydroxy-4,4-dimethylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136703831
4-[(2-hydroxy-4-methylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136703840
4-[2-(2-hydroxyethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704103
4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136746820
4-[[2-(hydroxymethyl)cyclohexyl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136746831
4-(5-hydroxypentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136759211
4-[(3-ethyl-2-hydroxypentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136817764
4-[(4-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136823140
4-(6-hydroxyhexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136866830
4-[(5-hydroxy-4-methylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136901127
4-[(3-hydroxycyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136902394
4-[(4-hydroxycyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136973548

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxycyclohexyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-hydroxycyclohexyl)methylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136823136) is 4-[(4-hydroxycyclohexyl)methylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-hydroxycyclohexyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-hydroxycyclohexyl)methylamino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NCC2CCC(O)CC2)nc[nH]c1=O.
What is the InChIKey of 4-[(4-hydroxycyclohexyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is CYJQFOQTWLUMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-18-10-11(14-7-15-12(10)17)13-6-8-2-4-9(16)5-3-8/h7-9,16H,2-6H2,1H3,(H2,13,14,15,17).
What are the key properties of 4-[(4-hydroxycyclohexyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[(4-hydroxycyclohexyl)methylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 253.30 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxycyclohexyl)methylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136823136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).