N-(2,5-dimethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide

C21H22N4O3 — CID 109304802

IUPACN-(2,5-dimethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccnc(NC(C)c3ccccc3)n2)c1
InChIInChI=1S/C21H22N4O3/c1-14(15-7-5-4-6-8-15)23-21-22-12-11-17(25-21)20(26)24-18-13-16(27-2)9-10-19(18)28-3/h4-14H,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyNNBMLOMWUGKQCD-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.92
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide

N-(2,5-dimethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109304802) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109304802
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccnc(NC(C)c3ccccc3)n2)c1
InChIInChI=1S/C21H22N4O3/c1-14(15-7-5-4-6-8-15)23-21-22-12-11-17(25-21)20(26)24-18-13-16(27-2)9-10-19(18)28-3/h4-14H,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyNNBMLOMWUGKQCD-UHFFFAOYSA-N
XLogP3.92
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304794
N-(2,5-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316103
N-(2-ethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304797
N-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306411
N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109315277
2-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109295653
N-[(2-methoxyphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304715
2-(5-chloro-2-methoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304925
2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317564
2-(2,5-dimethoxyanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315480
N-(2-methoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210827
1-(2,5-dimethoxyphenyl)-3-[(1S)-1-phenylethyl]urea
CID 40636303

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide (CID 109304802) is N-(2,5-dimethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide is COc1ccc(OC)c(NC(=O)c2ccnc(NC(C)c3ccccc3)n2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is NNBMLOMWUGKQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14(15-7-5-4-6-8-15)23-21-22-12-11-17(25-21)20(26)24-18-13-16(27-2)9-10-19(18)28-3/h4-14H,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
N-(2,5-dimethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109304802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).