6-chloro-3-(cyclobutylmethyl)-5-methoxypyrimidin-4-one

C10H13ClN2O2 — CID 114585355

IUPAC6-chloro-3-(cyclobutylmethyl)-5-methoxypyrimidin-4-one
SMILESCOc1c(Cl)ncn(CC2CCC2)c1=O
InChIInChI=1S/C10H13ClN2O2/c1-15-8-9(11)12-6-13(10(8)14)5-7-3-2-4-7/h6-7H,2-5H2,1H3
InChIKeyPKZJKNMVOMHFEQ-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.71
Rot. Bonds3

About 6-chloro-3-(cyclobutylmethyl)-5-methoxypyrimidin-4-one

6-chloro-3-(cyclobutylmethyl)-5-methoxypyrimidin-4-one (PubChem CID 114585355) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 6-chloro-3-(cyclobutylmethyl)-5-methoxypyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(cyclobutylmethyl)-5-methoxypyrimidin-4-one
PubChem CID114585355
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name6-chloro-3-(cyclobutylmethyl)-5-methoxypyrimidin-4-one
SMILESCOc1c(Cl)ncn(CC2CCC2)c1=O
InChIInChI=1S/C10H13ClN2O2/c1-15-8-9(11)12-6-13(10(8)14)5-7-3-2-4-7/h6-7H,2-5H2,1H3
InChIKeyPKZJKNMVOMHFEQ-UHFFFAOYSA-N
XLogP1.71
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-3-(3-fluoropropyl)-5-methoxypyrimidin-4-one
CID 114585453
6-Chloro-5-methoxy-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
CID 103036368
6-Chloro-5-methoxy-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
CID 106455834
6-Chloro-5-methoxy-3-pentan-2-ylpyrimidin-4-one
CID 107885740
6-Chloro-5-methoxy-3-[2-(3-methylbutoxy)ethyl]pyrimidin-4-one
CID 113604659
5-(4-Chloro-5-methoxy-6-oxopyrimidin-1-yl)-2,2-dimethylpentanenitrile
CID 113604666
6-Chloro-5-methoxy-3-nonylpyrimidin-4-one
CID 113604695
6-Chloro-5-methoxy-3-(2-methylbutyl)pyrimidin-4-one
CID 114585108
6-Chloro-5-methoxy-3-pentylpyrimidin-4-one
CID 114585118
6-Chloro-5-methoxy-3-octylpyrimidin-4-one
CID 114585119
6-Chloro-3-cyclohexyl-5-methoxypyrimidin-4-one
CID 114585123
5-(4-Chloro-5-methoxy-6-oxopyrimidin-1-yl)pentanenitrile
CID 114585133

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(cyclobutylmethyl)-5-methoxypyrimidin-4-one?
The IUPAC name of 6-chloro-3-(cyclobutylmethyl)-5-methoxypyrimidin-4-one (CID 114585355) is 6-chloro-3-(cyclobutylmethyl)-5-methoxypyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(cyclobutylmethyl)-5-methoxypyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(cyclobutylmethyl)-5-methoxypyrimidin-4-one is COc1c(Cl)ncn(CC2CCC2)c1=O.
What is the InChIKey of 6-chloro-3-(cyclobutylmethyl)-5-methoxypyrimidin-4-one?
The InChIKey is PKZJKNMVOMHFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-15-8-9(11)12-6-13(10(8)14)5-7-3-2-4-7/h6-7H,2-5H2,1H3.
What are the key properties of 6-chloro-3-(cyclobutylmethyl)-5-methoxypyrimidin-4-one?
6-chloro-3-(cyclobutylmethyl)-5-methoxypyrimidin-4-one has a molecular weight of 228.68 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(cyclobutylmethyl)-5-methoxypyrimidin-4-one is sourced from PubChem (CID 114585355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).