N-(2-ethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide

C21H22N4O — CID 109347562

IUPACN-(2-ethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(NC(C)c2ccccc2)ncn1
InChIInChI=1S/C21H22N4O/c1-3-16-9-7-8-12-18(16)25-21(26)19-13-20(23-14-22-19)24-15(2)17-10-5-4-6-11-17/h4-15H,3H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyUMYYFXYXCFHYMI-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.46
Rot. Bonds6

About N-(2-ethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide

N-(2-ethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109347562) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(2-ethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109347562
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(2-ethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(NC(C)c2ccccc2)ncn1
InChIInChI=1S/C21H22N4O/c1-3-16-9-7-8-12-18(16)25-21(26)19-13-20(23-14-22-19)24-15(2)17-10-5-4-6-11-17/h4-15H,3H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyUMYYFXYXCFHYMI-UHFFFAOYSA-N
XLogP4.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[6-(1-phenylethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109347622
N-(2,4-dichlorophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347616
N-(4-bromophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347581
N-(3,4-dimethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347558
N-[2-(dimethylamino)ethyl]-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109344241
N-(1-phenylethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109338660
6-(3-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109357289
1-[4-[6-(1-phenylethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109345995
N-(2-ethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109357311
6-(diethylamino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109353293
N-(2-ethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109357298
N-(4-chlorophenyl)-6-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109357249

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide (CID 109347562) is N-(2-ethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide is CCc1ccccc1NC(=O)c1cc(NC(C)c2ccccc2)ncn1.
What is the InChIKey of N-(2-ethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is UMYYFXYXCFHYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-3-16-9-7-8-12-18(16)25-21(26)19-13-20(23-14-22-19)24-15(2)17-10-5-4-6-11-17/h4-15H,3H2,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(2-ethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
N-(2-ethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109347562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).