6-chloro-3-ethyl-2-methylpyrimidin-4-one

C7H9ClN2O — CID 114581811

IUPAC6-chloro-3-ethyl-2-methylpyrimidin-4-one
SMILESCCn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C7H9ClN2O/c1-3-10-5(2)9-6(8)4-7(10)11/h4H,3H2,1-2H3
InChIKeyNZALLDCNOIAKON-UHFFFAOYSA-N
MW172.62 g/mol
LogP1.23
Rot. Bonds1

About 6-chloro-3-ethyl-2-methylpyrimidin-4-one

6-chloro-3-ethyl-2-methylpyrimidin-4-one (PubChem CID 114581811) has the molecular formula C7H9ClN2O and a molecular weight of 172.62 g/mol. Its IUPAC name is 6-chloro-3-ethyl-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-ethyl-2-methylpyrimidin-4-one
PubChem CID114581811
Molecular FormulaC7H9ClN2O
Molecular Weight172.62 g/mol
Exact Mass172.04
IUPAC Name6-chloro-3-ethyl-2-methylpyrimidin-4-one
SMILESCCn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C7H9ClN2O/c1-3-10-5(2)9-6(8)4-7(10)11/h4H,3H2,1-2H3
InChIKeyNZALLDCNOIAKON-UHFFFAOYSA-N
XLogP1.23
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Dimethyl-4(3H)-pyrimidinone
CID 544933
6-Chloro-2,3,5-trimethylpyrimidin-4-one
CID 171351666
1-Ethyl-2-methyl-1,4-dihydropyrimidin-4-one
CID 130153255
6-Amino-2,3-dimethyl-4(3H)-pyrimidinone
CID 12778112
3-Ethyl-2-methylpyrimidin-4-one
CID 295916
6-Chloro-2-methyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114581616
6-Chloro-2-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114581628
6-Chloro-2-methyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114581717
6-Chloro-3-(difluoromethyl)-2-methylpyrimidin-4-one
CID 114581758
6-Chloro-3-(2,2-difluoroethyl)-2-methylpyrimidin-4-one
CID 114581781
6-Chloro-3-(2-fluoroethyl)-2-methylpyrimidin-4-one
CID 114581875
6-Chloro-3-(3-fluoropropyl)-2-methylpyrimidin-4-one
CID 114581954

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethyl-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-ethyl-2-methylpyrimidin-4-one (CID 114581811) is 6-chloro-3-ethyl-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-ethyl-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-ethyl-2-methylpyrimidin-4-one is CCn1c(C)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-ethyl-2-methylpyrimidin-4-one?
The InChIKey is NZALLDCNOIAKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c1-3-10-5(2)9-6(8)4-7(10)11/h4H,3H2,1-2H3.
What are the key properties of 6-chloro-3-ethyl-2-methylpyrimidin-4-one?
6-chloro-3-ethyl-2-methylpyrimidin-4-one has a molecular weight of 172.62 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethyl-2-methylpyrimidin-4-one is sourced from PubChem (CID 114581811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).