5-amino-6-chloro-3-cyclohexylpyrimidin-4-one

C10H14ClN3O — CID 114582476

IUPAC5-amino-6-chloro-3-cyclohexylpyrimidin-4-one
SMILESNc1c(Cl)ncn(C2CCCCC2)c1=O
InChIInChI=1S/C10H14ClN3O/c11-9-8(12)10(15)14(6-13-9)7-4-2-1-3-5-7/h6-7H,1-5,12H2
InChIKeyWXKHKKTXYZPDSL-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.98
Rot. Bonds1

About 5-amino-6-chloro-3-cyclohexylpyrimidin-4-one

5-amino-6-chloro-3-cyclohexylpyrimidin-4-one (PubChem CID 114582476) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 5-amino-6-chloro-3-cyclohexylpyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-cyclohexylpyrimidin-4-one
PubChem CID114582476
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name5-amino-6-chloro-3-cyclohexylpyrimidin-4-one
SMILESNc1c(Cl)ncn(C2CCCCC2)c1=O
InChIInChI=1S/C10H14ClN3O/c11-9-8(12)10(15)14(6-13-9)7-4-2-1-3-5-7/h6-7H,1-5,12H2
InChIKeyWXKHKKTXYZPDSL-UHFFFAOYSA-N
XLogP1.98
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-6-chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885725
5-Amino-6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913294
5-Amino-6-chloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604255
5-Amino-3-[2-(azepan-1-yl)-2-oxoethyl]-6-chloropyrimidin-4-one
CID 113604272
5-Amino-6-chloro-3-decylpyrimidin-4-one
CID 113604298
N-cyclohexyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
CID 113604326
2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide
CID 113604442
6-Chloro-3-cyclohexylpyrimidin-4-one
CID 114582037
2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide
CID 114582212
5-Amino-6-chloro-3-(2-ethylcyclohexyl)pyrimidin-4-one
CID 114582470
5-Amino-6-chloro-3-pentylpyrimidin-4-one
CID 114582471
5-Amino-6-chloro-3-octylpyrimidin-4-one
CID 114582472

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-cyclohexylpyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-cyclohexylpyrimidin-4-one (CID 114582476) is 5-amino-6-chloro-3-cyclohexylpyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-cyclohexylpyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-cyclohexylpyrimidin-4-one is Nc1c(Cl)ncn(C2CCCCC2)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-cyclohexylpyrimidin-4-one?
The InChIKey is WXKHKKTXYZPDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c11-9-8(12)10(15)14(6-13-9)7-4-2-1-3-5-7/h6-7H,1-5,12H2.
What are the key properties of 5-amino-6-chloro-3-cyclohexylpyrimidin-4-one?
5-amino-6-chloro-3-cyclohexylpyrimidin-4-one has a molecular weight of 227.69 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-cyclohexylpyrimidin-4-one is sourced from PubChem (CID 114582476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).