2-N-(4-methylphenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide

C21H17N5O2 — CID 167753642

IUPAC2-N-(4-methylphenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccccc3)n3cnc(C(N)=O)c3n2)cc1
InChIInChI=1S/C21H17N5O2/c1-13-7-9-15(10-8-13)24-21(28)16-11-17(14-5-3-2-4-6-14)26-12-23-18(19(22)27)20(26)25-16/h2-12H,1H3,(H2,22,27)(H,24,28)
InChIKeyZBZLWJNGXCCLLH-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.06
Rot. Bonds4

About 2-N-(4-methylphenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide

2-N-(4-methylphenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide (PubChem CID 167753642) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-N-(4-methylphenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-methylphenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide
PubChem CID167753642
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name2-N-(4-methylphenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccccc3)n3cnc(C(N)=O)c3n2)cc1
InChIInChI=1S/C21H17N5O2/c1-13-7-9-15(10-8-13)24-21(28)16-11-17(14-5-3-2-4-6-14)26-12-23-18(19(22)27)20(26)25-16/h2-12H,1H3,(H2,22,27)(H,24,28)
InChIKeyZBZLWJNGXCCLLH-UHFFFAOYSA-N
XLogP3.06
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(4-chloro-2-fluorophenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide
CID 155967504
4-N-(3,4-dimethylphenyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 25358211
1-methyl-5-N-[4-[(5-methylpyridine-2-carbonyl)amino]phenyl]imidazole-4,5-dicarboxamide
CID 118419601
N-(4-acetamidophenyl)-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336197
7-methyl-N-(4-methylphenyl)-2-phenylimidazo[1,2-a]pyridine-3-carboxamide
CID 171983604
N-(4-methylphenyl)-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 112851525
5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide
CID 42879083
1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide
CID 679026
N-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050163
4-N-(4-methyl-1,3-benzothiazol-2-yl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24649876
N-(4-acetamidophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 163264403
5-(4-methylphenyl)-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
CID 138377449

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methylphenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide?
The IUPAC name of 2-N-(4-methylphenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide (CID 167753642) is 2-N-(4-methylphenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide.
What is the SMILES notation for 2-N-(4-methylphenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide?
The canonical SMILES for 2-N-(4-methylphenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide is Cc1ccc(NC(=O)c2cc(-c3ccccc3)n3cnc(C(N)=O)c3n2)cc1.
What is the InChIKey of 2-N-(4-methylphenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide?
The InChIKey is ZBZLWJNGXCCLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-13-7-9-15(10-8-13)24-21(28)16-11-17(14-5-3-2-4-6-14)26-12-23-18(19(22)27)20(26)25-16/h2-12H,1H3,(H2,22,27)(H,24,28).
What are the key properties of 2-N-(4-methylphenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide?
2-N-(4-methylphenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide has a molecular weight of 371.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methylphenyl)-4-phenylimidazo[1,5-a]pyrimidine-2,8-dicarboxamide is sourced from PubChem (CID 167753642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).