N-(2-aminopyrimidin-4-yl)-3-methyl-5-phenylimidazole-4-carboxamide

C15H14N6O — CID 44586899

IUPACN-(2-aminopyrimidin-4-yl)-3-methyl-5-phenylimidazole-4-carboxamide
SMILESCn1cnc(-c2ccccc2)c1C(=O)Nc1ccnc(N)n1
InChIInChI=1S/C15H14N6O/c1-21-9-18-12(10-5-3-2-4-6-10)13(21)14(22)19-11-7-8-17-15(16)20-11/h2-9H,1H3,(H3,16,17,19,20,22)
InChIKeyQRHBTOXWPGAIIZ-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.71
Rot. Bonds3

About N-(2-aminopyrimidin-4-yl)-3-methyl-5-phenylimidazole-4-carboxamide

N-(2-aminopyrimidin-4-yl)-3-methyl-5-phenylimidazole-4-carboxamide (PubChem CID 44586899) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is N-(2-aminopyrimidin-4-yl)-3-methyl-5-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminopyrimidin-4-yl)-3-methyl-5-phenylimidazole-4-carboxamide
PubChem CID44586899
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC NameN-(2-aminopyrimidin-4-yl)-3-methyl-5-phenylimidazole-4-carboxamide
SMILESCn1cnc(-c2ccccc2)c1C(=O)Nc1ccnc(N)n1
InChIInChI=1S/C15H14N6O/c1-21-9-18-12(10-5-3-2-4-6-10)13(21)14(22)19-11-7-8-17-15(16)20-11/h2-9H,1H3,(H3,16,17,19,20,22)
InChIKeyQRHBTOXWPGAIIZ-UHFFFAOYSA-N
XLogP1.71
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminopyrimidin-4-yl)-3-methyl-5-phenylimidazole-4-carboxamide?
The IUPAC name of N-(2-aminopyrimidin-4-yl)-3-methyl-5-phenylimidazole-4-carboxamide (CID 44586899) is N-(2-aminopyrimidin-4-yl)-3-methyl-5-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-aminopyrimidin-4-yl)-3-methyl-5-phenylimidazole-4-carboxamide?
The canonical SMILES for N-(2-aminopyrimidin-4-yl)-3-methyl-5-phenylimidazole-4-carboxamide is Cn1cnc(-c2ccccc2)c1C(=O)Nc1ccnc(N)n1.
What is the InChIKey of N-(2-aminopyrimidin-4-yl)-3-methyl-5-phenylimidazole-4-carboxamide?
The InChIKey is QRHBTOXWPGAIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O/c1-21-9-18-12(10-5-3-2-4-6-10)13(21)14(22)19-11-7-8-17-15(16)20-11/h2-9H,1H3,(H3,16,17,19,20,22).
What are the key properties of N-(2-aminopyrimidin-4-yl)-3-methyl-5-phenylimidazole-4-carboxamide?
N-(2-aminopyrimidin-4-yl)-3-methyl-5-phenylimidazole-4-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopyrimidin-4-yl)-3-methyl-5-phenylimidazole-4-carboxamide is sourced from PubChem (CID 44586899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).