2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide

C9H9N5O — CID 141444742

IUPAC2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide
SMILESCn1cncc1-c1nccc(C(N)=O)n1
InChIInChI=1S/C9H9N5O/c1-14-5-11-4-7(14)9-12-3-2-6(13-9)8(10)15/h2-5H,1H3,(H2,10,15)
InChIKeyVURDDHAMGBEUTE-UHFFFAOYSA-N
MW203.21 g/mol
LogP-0.02
Rot. Bonds2

About 2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide

2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide (PubChem CID 141444742) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide
PubChem CID141444742
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC Name2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide
SMILESCn1cncc1-c1nccc(C(N)=O)n1
InChIInChI=1S/C9H9N5O/c1-14-5-11-4-7(14)9-12-3-2-6(13-9)8(10)15/h2-5H,1H3,(H2,10,15)
InChIKeyVURDDHAMGBEUTE-UHFFFAOYSA-N
XLogP-0.02
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide (CID 141444742) is 2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide is Cn1cncc1-c1nccc(C(N)=O)n1.
What is the InChIKey of 2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide?
The InChIKey is VURDDHAMGBEUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c1-14-5-11-4-7(14)9-12-3-2-6(13-9)8(10)15/h2-5H,1H3,(H2,10,15).
What are the key properties of 2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide?
2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide has a molecular weight of 203.21 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 141444742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).