3-(pyrazin-2-ylmethyl)pyrimidin-4-one

C9H8N4O — CID 126857501

IUPAC3-(pyrazin-2-ylmethyl)pyrimidin-4-one
SMILESO=c1ccncn1Cc1cnccn1
InChIInChI=1S/C9H8N4O/c14-9-1-2-11-7-13(9)6-8-5-10-3-4-12-8/h1-5,7H,6H2
InChIKeyDHIWFXNHQZYIKP-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.08
Rot. Bonds2

About 3-(pyrazin-2-ylmethyl)pyrimidin-4-one

3-(pyrazin-2-ylmethyl)pyrimidin-4-one (PubChem CID 126857501) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 3-(pyrazin-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(pyrazin-2-ylmethyl)pyrimidin-4-one
PubChem CID126857501
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name3-(pyrazin-2-ylmethyl)pyrimidin-4-one
SMILESO=c1ccncn1Cc1cnccn1
InChIInChI=1S/C9H8N4O/c14-9-1-2-11-7-13(9)6-8-5-10-3-4-12-8/h1-5,7H,6H2
InChIKeyDHIWFXNHQZYIKP-UHFFFAOYSA-N
XLogP0.08
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrazin-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 3-(pyrazin-2-ylmethyl)pyrimidin-4-one (CID 126857501) is 3-(pyrazin-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 3-(pyrazin-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 3-(pyrazin-2-ylmethyl)pyrimidin-4-one is O=c1ccncn1Cc1cnccn1.
What is the InChIKey of 3-(pyrazin-2-ylmethyl)pyrimidin-4-one?
The InChIKey is DHIWFXNHQZYIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c14-9-1-2-11-7-13(9)6-8-5-10-3-4-12-8/h1-5,7H,6H2.
What are the key properties of 3-(pyrazin-2-ylmethyl)pyrimidin-4-one?
3-(pyrazin-2-ylmethyl)pyrimidin-4-one has a molecular weight of 188.19 g/mol, XLogP of 0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrazin-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 126857501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).