2-chloro-4,5-dimethyl-1H-pyrimidin-6-one

C6H7ClN2O — CID 135667619

IUPAC2-chloro-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(Cl)[nH]c(=O)c1C
InChIInChI=1S/C6H7ClN2O/c1-3-4(2)8-6(7)9-5(3)10/h1-2H3,(H,8,9,10)
InChIKeyKRYARGYTDWLVBB-UHFFFAOYSA-N
MW158.59 g/mol
LogP1.04
Rot. Bonds

About 2-chloro-4,5-dimethyl-1H-pyrimidin-6-one

2-chloro-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 135667619) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 2-chloro-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-chloro-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID135667619
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name2-chloro-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(Cl)[nH]c(=O)c1C
InChIInChI=1S/C6H7ClN2O/c1-3-4(2)8-6(7)9-5(3)10/h1-2H3,(H,8,9,10)
InChIKeyKRYARGYTDWLVBB-UHFFFAOYSA-N
XLogP1.04
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-chloro-4,5-dimethyl-1H-pyrimidin-6-one (CID 135667619) is 2-chloro-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-chloro-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-chloro-4,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(Cl)[nH]c(=O)c1C.
What is the InChIKey of 2-chloro-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is KRYARGYTDWLVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-3-4(2)8-6(7)9-5(3)10/h1-2H3,(H,8,9,10).
What are the key properties of 2-chloro-4,5-dimethyl-1H-pyrimidin-6-one?
2-chloro-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 158.59 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135667619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).