N,2-diphenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide

C20H18N4O — CID 112852023

IUPACN,2-diphenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
SMILESC=CCNc1cc(C(=O)Nc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H18N4O/c1-2-13-21-18-14-17(20(25)22-16-11-7-4-8-12-16)23-19(24-18)15-9-5-3-6-10-15/h2-12,14H,1,13H2,(H,22,25)(H,21,23,24)
InChIKeyGTJQVUOEMDJLCT-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.99
Rot. Bonds6

About N,2-diphenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide

N,2-diphenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide (PubChem CID 112852023) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N,2-diphenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,2-diphenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
PubChem CID112852023
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN,2-diphenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
SMILESC=CCNc1cc(C(=O)Nc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H18N4O/c1-2-13-21-18-14-17(20(25)22-16-11-7-4-8-12-16)23-19(24-18)15-9-5-3-6-10-15/h2-12,14H,1,13H2,(H,22,25)(H,21,23,24)
InChIKeyGTJQVUOEMDJLCT-UHFFFAOYSA-N
XLogP3.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-6-(prop-2-enylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 112852063
N-(3-chloro-4-methylphenyl)-2-phenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112852047
N-(3-chloro-4-fluorophenyl)-2-phenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112852048
2-phenyl-N-(4-propan-2-yloxyphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112852058
N-[(2-chlorophenyl)methyl]-2-phenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112851986
N-butan-2-yl-2-phenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112851959
6-[3-(dimethylamino)propylamino]-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 112852103
6-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853626
N-(3-acetamidophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851324
N-(4-methylphenyl)-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852390
4-N-tert-butyl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879638
N-(3-acetylphenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851322

Frequently Asked Questions

What is the IUPAC name of N,2-diphenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
The IUPAC name of N,2-diphenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide (CID 112852023) is N,2-diphenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N,2-diphenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N,2-diphenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide is C=CCNc1cc(C(=O)Nc2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of N,2-diphenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
The InChIKey is GTJQVUOEMDJLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-2-13-21-18-14-17(20(25)22-16-11-7-4-8-12-16)23-19(24-18)15-9-5-3-6-10-15/h2-12,14H,1,13H2,(H,22,25)(H,21,23,24).
What are the key properties of N,2-diphenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
N,2-diphenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diphenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112852023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).