3-[(5-chloropyrazin-2-yl)methyl]-2,6-dimethylpyrimidin-4-one

C11H11ClN4O — CID 103054567

IUPAC3-[(5-chloropyrazin-2-yl)methyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(Cc2cnc(Cl)cn2)c(C)n1
InChIInChI=1S/C11H11ClN4O/c1-7-3-11(17)16(8(2)15-7)6-9-4-14-10(12)5-13-9/h3-5H,6H2,1-2H3
InChIKeyRHWPYJQGDRBGAX-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.35
Rot. Bonds2

About 3-[(5-chloropyrazin-2-yl)methyl]-2,6-dimethylpyrimidin-4-one

3-[(5-chloropyrazin-2-yl)methyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 103054567) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 3-[(5-chloropyrazin-2-yl)methyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-chloropyrazin-2-yl)methyl]-2,6-dimethylpyrimidin-4-one
PubChem CID103054567
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name3-[(5-chloropyrazin-2-yl)methyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(Cc2cnc(Cl)cn2)c(C)n1
InChIInChI=1S/C11H11ClN4O/c1-7-3-11(17)16(8(2)15-7)6-9-4-14-10(12)5-13-9/h3-5H,6H2,1-2H3
InChIKeyRHWPYJQGDRBGAX-UHFFFAOYSA-N
XLogP1.35
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloropyrazin-2-yl)methyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[(5-chloropyrazin-2-yl)methyl]-2,6-dimethylpyrimidin-4-one (CID 103054567) is 3-[(5-chloropyrazin-2-yl)methyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[(5-chloropyrazin-2-yl)methyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[(5-chloropyrazin-2-yl)methyl]-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(Cc2cnc(Cl)cn2)c(C)n1.
What is the InChIKey of 3-[(5-chloropyrazin-2-yl)methyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is RHWPYJQGDRBGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-7-3-11(17)16(8(2)15-7)6-9-4-14-10(12)5-13-9/h3-5H,6H2,1-2H3.
What are the key properties of 3-[(5-chloropyrazin-2-yl)methyl]-2,6-dimethylpyrimidin-4-one?
3-[(5-chloropyrazin-2-yl)methyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 250.69 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloropyrazin-2-yl)methyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 103054567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).