N-(4-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide

C21H22N4O3 — CID 109349110

IUPACN-(4-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(NCc3ccc(OC)cc3)ncn2)cc1
InChIInChI=1S/C21H22N4O3/c1-3-28-18-10-6-16(7-11-18)25-21(26)19-12-20(24-14-23-19)22-13-15-4-8-17(27-2)9-5-15/h4-12,14H,3,13H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyCAHIQHXJZYKYCT-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.75
Rot. Bonds8

About N-(4-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide

N-(4-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109349110) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109349110
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(4-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(NCc3ccc(OC)cc3)ncn2)cc1
InChIInChI=1S/C21H22N4O3/c1-3-28-18-10-6-16(7-11-18)25-21(26)19-12-20(24-14-23-19)22-13-15-4-8-17(27-2)9-5-15/h4-12,14H,3,13H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyCAHIQHXJZYKYCT-UHFFFAOYSA-N
XLogP3.75
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109348330
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358931
N-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348753
N-(4-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109349642
ethyl 4-[[6-[(4-methylphenyl)methylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109347370
6-(benzylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109346565
N-(4-chloro-2-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109349100
N-(2-tert-butylphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109349091
N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348377
6-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109340698
N-(4-acetylphenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347355
2-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109170970

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide (CID 109349110) is N-(4-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide is CCOc1ccc(NC(=O)c2cc(NCc3ccc(OC)cc3)ncn2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is CAHIQHXJZYKYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-3-28-18-10-6-16(7-11-18)25-21(26)19-12-20(24-14-23-19)22-13-15-4-8-17(27-2)9-5-15/h4-12,14H,3,13H2,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(4-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide?
N-(4-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109349110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).