N-(2-methoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide

C20H20N4O2 — CID 109304794

IUPACN-(2-methoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccnc(NC(C)c2ccccc2)n1
InChIInChI=1S/C20H20N4O2/c1-14(15-8-4-3-5-9-15)22-20-21-13-12-17(24-20)19(25)23-16-10-6-7-11-18(16)26-2/h3-14H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyFOQFGZBWCNCKAT-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.91
Rot. Bonds6

About N-(2-methoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide

N-(2-methoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109304794) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109304794
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(2-methoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccnc(NC(C)c2ccccc2)n1
InChIInChI=1S/C20H20N4O2/c1-14(15-8-4-3-5-9-15)22-20-21-13-12-17(24-20)19(25)23-16-10-6-7-11-18(16)26-2/h3-14H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyFOQFGZBWCNCKAT-UHFFFAOYSA-N
XLogP3.91
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304797
N-(2,5-dimethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304802
N-(2-methoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210827
N-[(2-methoxyphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304715
N-tert-butyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304745
N-(2-methoxyethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109299802
N-(2-methoxyphenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109314028
2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109313739
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
N-(2-ethyl-6-methylphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304772
2-(4-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317703

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide (CID 109304794) is N-(2-methoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide is COc1ccccc1NC(=O)c1ccnc(NC(C)c2ccccc2)n1.
What is the InChIKey of N-(2-methoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is FOQFGZBWCNCKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14(15-8-4-3-5-9-15)22-20-21-13-12-17(24-20)19(25)23-16-10-6-7-11-18(16)26-2/h3-14H,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of N-(2-methoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
N-(2-methoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109304794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).