2-chloro-4-ethyl-1H-pyrimidin-6-one

C6H7ClN2O — CID 135667625

IUPAC2-chloro-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(Cl)n1
InChIInChI=1S/C6H7ClN2O/c1-2-4-3-5(10)9-6(7)8-4/h3H,2H2,1H3,(H,8,9,10)
InChIKeyCPTAIFYKRNBYGI-UHFFFAOYSA-N
MW158.59 g/mol
LogP0.99
Rot. Bonds1

About 2-chloro-4-ethyl-1H-pyrimidin-6-one

2-chloro-4-ethyl-1H-pyrimidin-6-one (PubChem CID 135667625) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 2-chloro-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-chloro-4-ethyl-1H-pyrimidin-6-one
PubChem CID135667625
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name2-chloro-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(Cl)n1
InChIInChI=1S/C6H7ClN2O/c1-2-4-3-5(10)9-6(7)8-4/h3H,2H2,1H3,(H,8,9,10)
InChIKeyCPTAIFYKRNBYGI-UHFFFAOYSA-N
XLogP0.99
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-6-propylpyrimidin-4-ol
CID 135556691
6-Methyl-2-selenouracil
CID 135738686
6-Propyl-2-selenouracil
CID 135412657
6-Ethylpyrimidin-4-ol
CID 135407688
6-Ethyl-2-methylpyrimidin-4(1H)-one
CID 135591007
2-Chloro-6-ethyl-5-fluoropyrimidin-4(3H)-one
CID 135552953
2-Amino-6-isopropylpyrimidin-4-ol
CID 135631208
2-Chloro-6-methylpyrimidin-4(1H)-one
CID 135667626
4-ethyl-2-fluoro-1H-pyrimidin-6-one
CID 135810240
6-oxo-4-propyl-1H-pyrimidine-2-thiolate
CID 135567141
4-Methyl-1,2-dihydropyrimidin-2-id-6-one;tungsten
CID 57678454
2-Amino-6-ethylpyrimidin-4-ol
CID 135481114

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-chloro-4-ethyl-1H-pyrimidin-6-one (CID 135667625) is 2-chloro-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-chloro-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-chloro-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(Cl)n1.
What is the InChIKey of 2-chloro-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is CPTAIFYKRNBYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-2-4-3-5(10)9-6(7)8-4/h3H,2H2,1H3,(H,8,9,10).
What are the key properties of 2-chloro-4-ethyl-1H-pyrimidin-6-one?
2-chloro-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 158.59 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135667625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).