2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one

C8H8N4O — CID 89156509

IUPAC2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one
SMILESCn1cnc(-c2nccc(=O)[nH]2)c1
InChIInChI=1S/C8H8N4O/c1-12-4-6(10-5-12)8-9-3-2-7(13)11-8/h2-5H,1H3,(H,9,11,13)
InChIKeyPIEVIFWLTWKADB-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.17
Rot. Bonds1

About 2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one

2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 89156509) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one
PubChem CID89156509
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one
SMILESCn1cnc(-c2nccc(=O)[nH]2)c1
InChIInChI=1S/C8H8N4O/c1-12-4-6(10-5-12)8-9-3-2-7(13)11-8/h2-5H,1H3,(H,9,11,13)
InChIKeyPIEVIFWLTWKADB-UHFFFAOYSA-N
XLogP0.17
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one (CID 89156509) is 2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one is Cn1cnc(-c2nccc(=O)[nH]2)c1.
What is the InChIKey of 2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is PIEVIFWLTWKADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-12-4-6(10-5-12)8-9-3-2-7(13)11-8/h2-5H,1H3,(H,9,11,13).
What are the key properties of 2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one?
2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 176.18 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 89156509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).