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

C10H8ClIN4O — CID 103054601

IUPAC3-[(5-chloropyrazin-2-yl)methyl]-5-iodo-6-methylpyrimidin-4-one
SMILESCc1ncn(Cc2cnc(Cl)cn2)c(=O)c1I
InChIInChI=1S/C10H8ClIN4O/c1-6-9(12)10(17)16(5-15-6)4-7-2-14-8(11)3-13-7/h2-3,5H,4H2,1H3
InChIKeyJEVUKLYGAKSDBY-UHFFFAOYSA-N
MW362.56 g/mol
LogP1.65
Rot. Bonds2

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

3-[(5-chloropyrazin-2-yl)methyl]-5-iodo-6-methylpyrimidin-4-one (PubChem CID 103054601) has the molecular formula C10H8ClIN4O and a molecular weight of 362.56 g/mol. Its IUPAC name is 3-[(5-chloropyrazin-2-yl)methyl]-5-iodo-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-chloropyrazin-2-yl)methyl]-5-iodo-6-methylpyrimidin-4-one
PubChem CID103054601
Molecular FormulaC10H8ClIN4O
Molecular Weight362.56 g/mol
Exact Mass361.94
IUPAC Name3-[(5-chloropyrazin-2-yl)methyl]-5-iodo-6-methylpyrimidin-4-one
SMILESCc1ncn(Cc2cnc(Cl)cn2)c(=O)c1I
InChIInChI=1S/C10H8ClIN4O/c1-6-9(12)10(17)16(5-15-6)4-7-2-14-8(11)3-13-7/h2-3,5H,4H2,1H3
InChIKeyJEVUKLYGAKSDBY-UHFFFAOYSA-N
XLogP1.65
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloropyrazin-2-yl)methyl]-5-iodo-6-methylpyrimidin-4-one?
The IUPAC name of 3-[(5-chloropyrazin-2-yl)methyl]-5-iodo-6-methylpyrimidin-4-one (CID 103054601) is 3-[(5-chloropyrazin-2-yl)methyl]-5-iodo-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[(5-chloropyrazin-2-yl)methyl]-5-iodo-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[(5-chloropyrazin-2-yl)methyl]-5-iodo-6-methylpyrimidin-4-one is Cc1ncn(Cc2cnc(Cl)cn2)c(=O)c1I.
What is the InChIKey of 3-[(5-chloropyrazin-2-yl)methyl]-5-iodo-6-methylpyrimidin-4-one?
The InChIKey is JEVUKLYGAKSDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClIN4O/c1-6-9(12)10(17)16(5-15-6)4-7-2-14-8(11)3-13-7/h2-3,5H,4H2,1H3.
What are the key properties of 3-[(5-chloropyrazin-2-yl)methyl]-5-iodo-6-methylpyrimidin-4-one?
3-[(5-chloropyrazin-2-yl)methyl]-5-iodo-6-methylpyrimidin-4-one has a molecular weight of 362.56 g/mol, XLogP of 1.65, 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]-5-iodo-6-methylpyrimidin-4-one is sourced from PubChem (CID 103054601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).