N-ethyl-2,4-diphenylpyrimidine-5-carboxamide

C19H17N3O — CID 1470755

IUPACN-ethyl-2,4-diphenylpyrimidine-5-carboxamide
SMILESCCNC(=O)c1cnc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H17N3O/c1-2-20-19(23)16-13-21-18(15-11-7-4-8-12-15)22-17(16)14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,20,23)
InChIKeyVRCVESQFEBCCJS-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.56
Rot. Bonds4

About N-ethyl-2,4-diphenylpyrimidine-5-carboxamide

N-ethyl-2,4-diphenylpyrimidine-5-carboxamide (PubChem CID 1470755) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is N-ethyl-2,4-diphenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,4-diphenylpyrimidine-5-carboxamide
PubChem CID1470755
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC NameN-ethyl-2,4-diphenylpyrimidine-5-carboxamide
SMILESCCNC(=O)c1cnc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H17N3O/c1-2-20-19(23)16-13-21-18(15-11-7-4-8-12-15)22-17(16)14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,20,23)
InChIKeyVRCVESQFEBCCJS-UHFFFAOYSA-N
XLogP3.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxamide
CID 83567087
4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide
CID 83567065
N-(4-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143495
N-(3-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143497
N-ethyl-2-phenyl-5-pyridin-3-ylpyridine-3-carboxamide
CID 58539044
N-ethyl-2,3-diphenylquinoxaline-6-carboxamide
CID 5261756
4-(dimethylamino)-N-(2-methylpropyl)-2-phenylpyrimidine-5-carboxamide
CID 42670139
4-methyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 110852258
N-[1-(4-fluorophenyl)ethyl]-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143559
1,1-diethoxyethyl-[2-(2,4-diphenylpyrimidin-5-yl)-2-oxoethyl]-dimethylazanium bromide
CID 88824923
N-(cyclopropylmethyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143618
4-amino-N-(3-ethoxypropyl)-2-phenylpyrimidine-5-carboxamide
CID 83567067

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4-diphenylpyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-2,4-diphenylpyrimidine-5-carboxamide (CID 1470755) is N-ethyl-2,4-diphenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-2,4-diphenylpyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-2,4-diphenylpyrimidine-5-carboxamide is CCNC(=O)c1cnc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-ethyl-2,4-diphenylpyrimidine-5-carboxamide?
The InChIKey is VRCVESQFEBCCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-2-20-19(23)16-13-21-18(15-11-7-4-8-12-15)22-17(16)14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,20,23).
What are the key properties of N-ethyl-2,4-diphenylpyrimidine-5-carboxamide?
N-ethyl-2,4-diphenylpyrimidine-5-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4-diphenylpyrimidine-5-carboxamide is sourced from PubChem (CID 1470755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).