2-methyl-N-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide

C20H20N4O — CID 109371473

IUPAC2-methyl-N-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCCc2ccccc2)cc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C20H20N4O/c1-15-22-18(20(25)24-17-10-6-3-7-11-17)14-19(23-15)21-13-12-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyAIVTZLVSMVNFQS-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.69
Rot. Bonds6

About 2-methyl-N-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide

2-methyl-N-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109371473) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-methyl-N-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109371473
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-methyl-N-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCCc2ccccc2)cc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C20H20N4O/c1-15-22-18(20(25)24-17-10-6-3-7-11-17)14-19(23-15)21-13-12-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyAIVTZLVSMVNFQS-UHFFFAOYSA-N
XLogP3.69
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373529
N-(4-ethylphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371487
N-(2,6-dimethylphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371484
6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109371777
6-[2-(4-fluorophenyl)ethylamino]-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109371899
6-[3-(dimethylamino)propylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109366614
N-(3-fluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372199
N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371506
N-(3,5-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372185
N-benzyl-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109368383
6-(3-methoxypropylamino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109365015
methyl 4-[[6-(benzylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109368332

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide (CID 109371473) is 2-methyl-N-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide is Cc1nc(NCCc2ccccc2)cc(C(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-methyl-N-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is AIVTZLVSMVNFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-15-22-18(20(25)24-17-10-6-3-7-11-17)14-19(23-15)21-13-12-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of 2-methyl-N-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide?
2-methyl-N-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109371473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).