4,5-dichloro-2-methyl-1H-pyrimidin-6-one

C5H4Cl2N2O — CID 135621449

IUPAC4,5-dichloro-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Cl)c(Cl)c(=O)[nH]1
InChIInChI=1S/C5H4Cl2N2O/c1-2-8-4(7)3(6)5(10)9-2/h1H3,(H,8,9,10)
InChIKeyKUQPBCZFPWRAHB-UHFFFAOYSA-N
MW179.01 g/mol
LogP1.39
Rot. Bonds

About 4,5-dichloro-2-methyl-1H-pyrimidin-6-one

4,5-dichloro-2-methyl-1H-pyrimidin-6-one (PubChem CID 135621449) has the molecular formula C5H4Cl2N2O and a molecular weight of 179.01 g/mol. Its IUPAC name is 4,5-dichloro-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dichloro-2-methyl-1H-pyrimidin-6-one
PubChem CID135621449
Molecular FormulaC5H4Cl2N2O
Molecular Weight179.01 g/mol
Exact Mass177.97
IUPAC Name4,5-dichloro-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Cl)c(Cl)c(=O)[nH]1
InChIInChI=1S/C5H4Cl2N2O/c1-2-8-4(7)3(6)5(10)9-2/h1H3,(H,8,9,10)
InChIKeyKUQPBCZFPWRAHB-UHFFFAOYSA-N
XLogP1.39
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.01
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dichloro-2-methyl-1H-pyrimidin-6-one (CID 135621449) is 4,5-dichloro-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dichloro-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dichloro-2-methyl-1H-pyrimidin-6-one is Cc1nc(Cl)c(Cl)c(=O)[nH]1.
What is the InChIKey of 4,5-dichloro-2-methyl-1H-pyrimidin-6-one?
The InChIKey is KUQPBCZFPWRAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N2O/c1-2-8-4(7)3(6)5(10)9-2/h1H3,(H,8,9,10).
What are the key properties of 4,5-dichloro-2-methyl-1H-pyrimidin-6-one?
4,5-dichloro-2-methyl-1H-pyrimidin-6-one has a molecular weight of 179.01 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135621449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).