2-methoxy-3-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine

C13H12N6O — CID 22260396

IUPAC2-methoxy-3-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine
SMILESCOc1nccnc1Cn1ccnc1-c1ncccn1
InChIInChI=1S/C13H12N6O/c1-20-13-10(14-5-6-18-13)9-19-8-7-17-12(19)11-15-3-2-4-16-11/h2-8H,9H2,1H3
InChIKeyDQUZEFOPHAVYMZ-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.19
Rot. Bonds4

About 2-methoxy-3-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine

2-methoxy-3-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine (PubChem CID 22260396) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-methoxy-3-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine.

Molecular Properties

Compound Name2-methoxy-3-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine
PubChem CID22260396
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name2-methoxy-3-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine
SMILESCOc1nccnc1Cn1ccnc1-c1ncccn1
InChIInChI=1S/C13H12N6O/c1-20-13-10(14-5-6-18-13)9-19-8-7-17-12(19)11-15-3-2-4-16-11/h2-8H,9H2,1H3
InChIKeyDQUZEFOPHAVYMZ-UHFFFAOYSA-N
XLogP1.19
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine?
The IUPAC name of 2-methoxy-3-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine (CID 22260396) is 2-methoxy-3-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine.
What is the SMILES notation for 2-methoxy-3-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine?
The canonical SMILES for 2-methoxy-3-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine is COc1nccnc1Cn1ccnc1-c1ncccn1.
What is the InChIKey of 2-methoxy-3-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine?
The InChIKey is DQUZEFOPHAVYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c1-20-13-10(14-5-6-18-13)9-19-8-7-17-12(19)11-15-3-2-4-16-11/h2-8H,9H2,1H3.
What are the key properties of 2-methoxy-3-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine?
2-methoxy-3-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine has a molecular weight of 268.28 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine is sourced from PubChem (CID 22260396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).