2-phenyl-1,4-dihydropyrimidine-6-carboxamide

C11H11N3O — CID 70978039

IUPAC2-phenyl-1,4-dihydropyrimidine-6-carboxamide
SMILESNC(=O)C1=CCN=C(c2ccccc2)N1
InChIInChI=1S/C11H11N3O/c12-10(15)9-6-7-13-11(14-9)8-4-2-1-3-5-8/h1-6H,7H2,(H2,12,15)(H,13,14)
InChIKeyADROZGNDEPEHLS-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.41
Rot. Bonds2

About 2-phenyl-1,4-dihydropyrimidine-6-carboxamide

2-phenyl-1,4-dihydropyrimidine-6-carboxamide (PubChem CID 70978039) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-phenyl-1,4-dihydropyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-phenyl-1,4-dihydropyrimidine-6-carboxamide
PubChem CID70978039
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-phenyl-1,4-dihydropyrimidine-6-carboxamide
SMILESNC(=O)C1=CCN=C(c2ccccc2)N1
InChIInChI=1S/C11H11N3O/c12-10(15)9-6-7-13-11(14-9)8-4-2-1-3-5-8/h1-6H,7H2,(H2,12,15)(H,13,14)
InChIKeyADROZGNDEPEHLS-UHFFFAOYSA-N
XLogP0.41
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2,6-diphenyl-1H-1,3,5-triazine-4-carboxylic acid
CID 174807962
benzene-1,2,4,5-tetracarboxylic acid;tetrakis(2-phenyl-4,5-dihydro-1H-imidazole)
CID 175004780
4-amino-2-phenyl-4-phenylsulfanyl-1H-pyrimidine-5-carboxamide
CID 69092668
3-phenylpyridazine-4-carboxamide
CID 141336777
benzamide;5,6-diphenyltetrazine
CID 174808864
4-phenylpyrimidine-2-carboxamide
CID 68541218
6-phenyl-2-propan-2-yl-1,4-dihydropyrimidine
CID 58588586
3-(dimethylamino)-5-phenyl-1H-pyrazole-4-carboxamide
CID 71031561
2-hydroxy-5-phenyl-1,3-dihydro-1,2,4-triazole
CID 174990596
2-phenyl-1H-pyrrole-3-carboxamide
CID 57029978
1,1'-biphenyl;2-hydroxyacetamide
CID 174302760
4-methyl-6-phenylpyrimidine-2-carboxamide
CID 12562158

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,4-dihydropyrimidine-6-carboxamide?
The IUPAC name of 2-phenyl-1,4-dihydropyrimidine-6-carboxamide (CID 70978039) is 2-phenyl-1,4-dihydropyrimidine-6-carboxamide.
What is the SMILES notation for 2-phenyl-1,4-dihydropyrimidine-6-carboxamide?
The canonical SMILES for 2-phenyl-1,4-dihydropyrimidine-6-carboxamide is NC(=O)C1=CCN=C(c2ccccc2)N1.
What is the InChIKey of 2-phenyl-1,4-dihydropyrimidine-6-carboxamide?
The InChIKey is ADROZGNDEPEHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-10(15)9-6-7-13-11(14-9)8-4-2-1-3-5-8/h1-6H,7H2,(H2,12,15)(H,13,14).
What are the key properties of 2-phenyl-1,4-dihydropyrimidine-6-carboxamide?
2-phenyl-1,4-dihydropyrimidine-6-carboxamide has a molecular weight of 201.23 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,4-dihydropyrimidine-6-carboxamide is sourced from PubChem (CID 70978039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).