N-(3,4-dimethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide

C21H22N4O — CID 109347558

IUPACN-(3,4-dimethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NC(C)c3ccccc3)ncn2)cc1C
InChIInChI=1S/C21H22N4O/c1-14-9-10-18(11-15(14)2)25-21(26)19-12-20(23-13-22-19)24-16(3)17-7-5-4-6-8-17/h4-13,16H,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyVYEIGFUPNOIXST-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.52
Rot. Bonds5

About N-(3,4-dimethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide

N-(3,4-dimethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109347558) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109347558
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(3,4-dimethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NC(C)c3ccccc3)ncn2)cc1C
InChIInChI=1S/C21H22N4O/c1-14-9-10-18(11-15(14)2)25-21(26)19-12-20(23-13-22-19)24-16(3)17-7-5-4-6-8-17/h4-13,16H,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyVYEIGFUPNOIXST-UHFFFAOYSA-N
XLogP4.52
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347581
N-(2-ethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347562
N-(3,4-dimethylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256532
N-(2,4-dichlorophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347616
6-(2-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356960
N-(3-chloro-4-methylphenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170167
N-[2-(dimethylamino)ethyl]-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109344241
6-(4-acetamidoanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356977
6-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356962
ethyl 2-[[6-(1-phenylethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109347622
N-(1-phenylethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109338660
2-methyl-N-phenyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369164

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide (CID 109347558) is N-(3,4-dimethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(NC(C)c3ccccc3)ncn2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is VYEIGFUPNOIXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14-9-10-18(11-15(14)2)25-21(26)19-12-20(23-13-22-19)24-16(3)17-7-5-4-6-8-17/h4-13,16H,1-3H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(3,4-dimethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
N-(3,4-dimethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109347558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).