2-[2-(4-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

C21H21FN4O2 — CID 109330842

IUPAC2-[2-(4-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)nc(NCCc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C21H21FN4O2/c1-14-13-19(20(27)25-17-7-9-18(28-2)10-8-17)26-21(24-14)23-12-11-15-3-5-16(22)6-4-15/h3-10,13H,11-12H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyMIWXWGHECYZAKN-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.84
Rot. Bonds7

About 2-[2-(4-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

2-[2-(4-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109330842) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109330842
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name2-[2-(4-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)nc(NCCc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C21H21FN4O2/c1-14-13-19(20(27)25-17-7-9-18(28-2)10-8-17)26-21(24-14)23-12-11-15-3-5-16(22)6-4-15/h3-10,13H,11-12H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyMIWXWGHECYZAKN-UHFFFAOYSA-N
XLogP3.84
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(4-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)-6-methylpyrimidine-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

N-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109331030
2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328638
2-[2-(4-chlorophenyl)ethylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109331701
2-[(4-fluorophenyl)methylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109328692
2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553220
N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329281
2-(benzylamino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109327159
N-(4-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333116
2-[2-(4-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329169
N-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330945
N-(2,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109331038
N-(4-tert-butylphenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330392

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (CID 109330842) is 2-[2-(4-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(C)nc(NCCc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is MIWXWGHECYZAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-14-13-19(20(27)25-17-7-9-18(28-2)10-8-17)26-21(24-14)23-12-11-15-3-5-16(22)6-4-15/h3-10,13H,11-12H2,1-2H3,(H,25,27)(H,23,24,26).
What are the key properties of 2-[2-(4-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
2-[2-(4-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109330842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).