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

C10H9ClN4O — CID 103054515

IUPAC3-[(5-chloropyrazin-2-yl)methyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(Cc2cnc(Cl)cn2)cn1
InChIInChI=1S/C10H9ClN4O/c1-7-2-10(16)15(6-14-7)5-8-3-13-9(11)4-12-8/h2-4,6H,5H2,1H3
InChIKeySTSJVUVHWXKFRE-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.04
Rot. Bonds2

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

3-[(5-chloropyrazin-2-yl)methyl]-6-methylpyrimidin-4-one (PubChem CID 103054515) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 3-[(5-chloropyrazin-2-yl)methyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-chloropyrazin-2-yl)methyl]-6-methylpyrimidin-4-one
PubChem CID103054515
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name3-[(5-chloropyrazin-2-yl)methyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(Cc2cnc(Cl)cn2)cn1
InChIInChI=1S/C10H9ClN4O/c1-7-2-10(16)15(6-14-7)5-8-3-13-9(11)4-12-8/h2-4,6H,5H2,1H3
InChIKeySTSJVUVHWXKFRE-UHFFFAOYSA-N
XLogP1.04
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.04
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]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[(5-chloropyrazin-2-yl)methyl]-6-methylpyrimidin-4-one (CID 103054515) is 3-[(5-chloropyrazin-2-yl)methyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[(5-chloropyrazin-2-yl)methyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[(5-chloropyrazin-2-yl)methyl]-6-methylpyrimidin-4-one is Cc1cc(=O)n(Cc2cnc(Cl)cn2)cn1.
What is the InChIKey of 3-[(5-chloropyrazin-2-yl)methyl]-6-methylpyrimidin-4-one?
The InChIKey is STSJVUVHWXKFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c1-7-2-10(16)15(6-14-7)5-8-3-13-9(11)4-12-8/h2-4,6H,5H2,1H3.
What are the key properties of 3-[(5-chloropyrazin-2-yl)methyl]-6-methylpyrimidin-4-one?
3-[(5-chloropyrazin-2-yl)methyl]-6-methylpyrimidin-4-one has a molecular weight of 236.66 g/mol, XLogP of 1.04, 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]-6-methylpyrimidin-4-one is sourced from PubChem (CID 103054515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).