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

C11H11ClN4O2 — CID 103054607

IUPAC3-[(5-chloropyrazin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1Cc1cnc(Cl)cn1
InChIInChI=1S/C11H11ClN4O2/c1-7-3-10(17)16(11(15-7)18-2)6-8-4-14-9(12)5-13-8/h3-5H,6H2,1-2H3
InChIKeyVAOPRLNPENRBKV-UHFFFAOYSA-N
MW266.69 g/mol
LogP1.05
Rot. Bonds3

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

3-[(5-chloropyrazin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one (PubChem CID 103054607) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 3-[(5-chloropyrazin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-chloropyrazin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one
PubChem CID103054607
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Name3-[(5-chloropyrazin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1Cc1cnc(Cl)cn1
InChIInChI=1S/C11H11ClN4O2/c1-7-3-10(17)16(11(15-7)18-2)6-8-4-14-9(12)5-13-8/h3-5H,6H2,1-2H3
InChIKeyVAOPRLNPENRBKV-UHFFFAOYSA-N
XLogP1.05
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloropyrazin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one?
The IUPAC name of 3-[(5-chloropyrazin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one (CID 103054607) is 3-[(5-chloropyrazin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[(5-chloropyrazin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[(5-chloropyrazin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one is COc1nc(C)cc(=O)n1Cc1cnc(Cl)cn1.
What is the InChIKey of 3-[(5-chloropyrazin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one?
The InChIKey is VAOPRLNPENRBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c1-7-3-10(17)16(11(15-7)18-2)6-8-4-14-9(12)5-13-8/h3-5H,6H2,1-2H3.
What are the key properties of 3-[(5-chloropyrazin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one?
3-[(5-chloropyrazin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one has a molecular weight of 266.69 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloropyrazin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one is sourced from PubChem (CID 103054607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).