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

C13H20ClN3O2 — CID 136976105

IUPAC5-chloro-4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCCC1CCC(O)(CNc2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C13H20ClN3O2/c1-2-9-3-5-13(19,6-4-9)7-15-11-10(14)12(18)17-8-16-11/h8-9,19H,2-7H2,1H3,(H2,15,16,17,18)
InChIKeyAZHKXIPYJSEUPG-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.17
Rot. Bonds4

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

5-chloro-4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136976105) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 5-chloro-4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136976105
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name5-chloro-4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCCC1CCC(O)(CNc2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C13H20ClN3O2/c1-2-9-3-5-13(19,6-4-9)7-15-11-10(14)12(18)17-8-16-11/h8-9,19H,2-7H2,1H3,(H2,15,16,17,18)
InChIKeyAZHKXIPYJSEUPG-UHFFFAOYSA-N
XLogP2.17
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819393
5-bromo-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136956756
4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136956757
4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136956773
4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136956775
4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136956786
5-chloro-4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976083
5-amino-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976086
5-chloro-4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976093
5-chloro-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976099
5-amino-4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976103
4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136976107

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one (CID 136976105) is 5-chloro-4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one is CCC1CCC(O)(CNc2nc[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 5-chloro-4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is AZHKXIPYJSEUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-2-9-3-5-13(19,6-4-9)7-15-11-10(14)12(18)17-8-16-11/h8-9,19H,2-7H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-chloro-4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one?
5-chloro-4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 285.77 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).