2-chloro-5-ethyl-1H-pyrimidin-6-one

C6H7ClN2O — CID 11205925

IUPAC2-chloro-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1cnc(Cl)[nH]c1=O
InChIInChI=1S/C6H7ClN2O/c1-2-4-3-8-6(7)9-5(4)10/h3H,2H2,1H3,(H,8,9,10)
InChIKeyKFZQNZYYLHAVQC-UHFFFAOYSA-N
MW158.59 g/mol
LogP0.99
Rot. Bonds1

About 2-chloro-5-ethyl-1H-pyrimidin-6-one

2-chloro-5-ethyl-1H-pyrimidin-6-one (PubChem CID 11205925) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 2-chloro-5-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-chloro-5-ethyl-1H-pyrimidin-6-one
PubChem CID11205925
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name2-chloro-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1cnc(Cl)[nH]c1=O
InChIInChI=1S/C6H7ClN2O/c1-2-4-3-8-6(7)9-5(4)10/h3H,2H2,1H3,(H,8,9,10)
InChIKeyKFZQNZYYLHAVQC-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-Chloro-5-methylpyrimidin-4-ol
CID 49783283
CID 6327946
CID 6327946
5-Ethylpyrimidin-4-ol
CID 12423733
4-Pyrimidinol, 5-ethyl-2-methylthio-
CID 598439
4(1H)-Pyrimidinone, 2-amino-5-ethyl-
CID 147274
5-Methylaminoethyl-2-selenouracil
CID 129858036
5-ethyl-2-methyl-1H-pyrimidin-6-one
CID 5015079
2-amino-5-propan-2-yl-1H-pyrimidin-6-one
CID 58507711
5-methyl-6-oxo-1H-pyrimidin-2-olate
CID 59444585
5-propan-2-yl-1H-pyrimidin-6-one
CID 68211213
2-chloro-5-prop-2-enyl-1H-pyrimidin-6-one
CID 68574133
CID 90029346
CID 90029346

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-chloro-5-ethyl-1H-pyrimidin-6-one (CID 11205925) is 2-chloro-5-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-chloro-5-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-chloro-5-ethyl-1H-pyrimidin-6-one is CCc1cnc(Cl)[nH]c1=O.
What is the InChIKey of 2-chloro-5-ethyl-1H-pyrimidin-6-one?
The InChIKey is KFZQNZYYLHAVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-2-4-3-8-6(7)9-5(4)10/h3H,2H2,1H3,(H,8,9,10).
What are the key properties of 2-chloro-5-ethyl-1H-pyrimidin-6-one?
2-chloro-5-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-5-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 11205925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).