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

C11H16ClN3O2 — CID 136976083

IUPAC5-chloro-4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCC2(O)CCCCC2)c1Cl
InChIInChI=1S/C11H16ClN3O2/c12-8-9(14-7-15-10(8)16)13-6-11(17)4-2-1-3-5-11/h7,17H,1-6H2,(H2,13,14,15,16)
InChIKeyGYZCFIJKJBGFAV-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.53
Rot. Bonds3

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

5-chloro-4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136976083) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136976083
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name5-chloro-4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCC2(O)CCCCC2)c1Cl
InChIInChI=1S/C11H16ClN3O2/c12-8-9(14-7-15-10(8)16)13-6-11(17)4-2-1-3-5-11/h7,17H,1-6H2,(H2,13,14,15,16)
InChIKeyGYZCFIJKJBGFAV-UHFFFAOYSA-N
XLogP1.53
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.53
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-chloro-4-[(3-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136823134
4-[(1-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136956784
4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136956785
5-chloro-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976033
5-chloro-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one
CID 136976074
5-chloro-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136976079
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-chloro-4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976105
5-chloro-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one
CID 136976111
5-chloro-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136976237

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one (CID 136976083) is 5-chloro-4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one is O=c1[nH]cnc(NCC2(O)CCCCC2)c1Cl.
What is the InChIKey of 5-chloro-4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is GYZCFIJKJBGFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c12-8-9(14-7-15-10(8)16)13-6-11(17)4-2-1-3-5-11/h7,17H,1-6H2,(H2,13,14,15,16).
What are the key properties of 5-chloro-4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one?
5-chloro-4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 257.72 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).