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

C5H5ClN2O — CID 135459509

IUPAC4-chloro-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Cl)cc(=O)[nH]1
InChIInChI=1S/C5H5ClN2O/c1-3-7-4(6)2-5(9)8-3/h2H,1H3,(H,7,8,9)
InChIKeyQNANRGHPXMUJQC-UHFFFAOYSA-N
MW144.56 g/mol
LogP0.73
Rot. Bonds

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

4-chloro-2-methyl-1H-pyrimidin-6-one (PubChem CID 135459509) has the molecular formula C5H5ClN2O and a molecular weight of 144.56 g/mol. Its IUPAC name is 4-chloro-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-chloro-2-methyl-1H-pyrimidin-6-one
PubChem CID135459509
Molecular FormulaC5H5ClN2O
Molecular Weight144.56 g/mol
Exact Mass144.01
IUPAC Name4-chloro-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Cl)cc(=O)[nH]1
InChIInChI=1S/C5H5ClN2O/c1-3-7-4(6)2-5(9)8-3/h2H,1H3,(H,7,8,9)
InChIKeyQNANRGHPXMUJQC-UHFFFAOYSA-N
XLogP0.73
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.56
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-chloro-2-methyl-1H-pyrimidin-6-one (CID 135459509) is 4-chloro-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-chloro-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-chloro-2-methyl-1H-pyrimidin-6-one is Cc1nc(Cl)cc(=O)[nH]1.
What is the InChIKey of 4-chloro-2-methyl-1H-pyrimidin-6-one?
The InChIKey is QNANRGHPXMUJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O/c1-3-7-4(6)2-5(9)8-3/h2H,1H3,(H,7,8,9).
What are the key properties of 4-chloro-2-methyl-1H-pyrimidin-6-one?
4-chloro-2-methyl-1H-pyrimidin-6-one has a molecular weight of 144.56 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135459509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).