(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanone

C9H8N4O — CID 118005537

IUPAC(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanone
SMILESCn1cncc1C(=O)c1ncccn1
InChIInChI=1S/C9H8N4O/c1-13-6-10-5-7(13)8(14)9-11-3-2-4-12-9/h2-6H,1H3
InChIKeyAXMISNIVMJKBBR-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.44
Rot. Bonds2

About (3-methylimidazol-4-yl)-pyrimidin-2-ylmethanone

(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanone (PubChem CID 118005537) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanone
PubChem CID118005537
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanone
SMILESCn1cncc1C(=O)c1ncccn1
InChIInChI=1S/C9H8N4O/c1-13-6-10-5-7(13)8(14)9-11-3-2-4-12-9/h2-6H,1H3
InChIKeyAXMISNIVMJKBBR-UHFFFAOYSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)-pyrimidin-2-ylmethanone?
The IUPAC name of (3-methylimidazol-4-yl)-pyrimidin-2-ylmethanone (CID 118005537) is (3-methylimidazol-4-yl)-pyrimidin-2-ylmethanone.
What is the SMILES notation for (3-methylimidazol-4-yl)-pyrimidin-2-ylmethanone?
The canonical SMILES for (3-methylimidazol-4-yl)-pyrimidin-2-ylmethanone is Cn1cncc1C(=O)c1ncccn1.
What is the InChIKey of (3-methylimidazol-4-yl)-pyrimidin-2-ylmethanone?
The InChIKey is AXMISNIVMJKBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c1-13-6-10-5-7(13)8(14)9-11-3-2-4-12-9/h2-6H,1H3.
What are the key properties of (3-methylimidazol-4-yl)-pyrimidin-2-ylmethanone?
(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanone has a molecular weight of 188.19 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-yl)-pyrimidin-2-ylmethanone is sourced from PubChem (CID 118005537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).