4-[ethyl(methyl)amino]-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide

C21H20F2N4O — CID 83282097

IUPAC4-[ethyl(methyl)amino]-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
SMILESCCN(C)c1nc(-c2ccc(F)cc2)ncc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C21H20F2N4O/c1-3-27(2)20-18(21(28)25-12-14-4-8-16(22)9-5-14)13-24-19(26-20)15-6-10-17(23)11-7-15/h4-11,13H,3,12H2,1-2H3,(H,25,28)
InChIKeyVIUAZMIBZKRLQN-UHFFFAOYSA-N
MW382.41 g/mol
LogP3.81
Rot. Bonds6

About 4-[ethyl(methyl)amino]-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide

4-[ethyl(methyl)amino]-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 83282097) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
PubChem CID83282097
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC Name4-[ethyl(methyl)amino]-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
SMILESCCN(C)c1nc(-c2ccc(F)cc2)ncc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C21H20F2N4O/c1-3-27(2)20-18(21(28)25-12-14-4-8-16(22)9-5-14)13-24-19(26-20)15-6-10-17(23)11-7-15/h4-11,13H,3,12H2,1-2H3,(H,25,28)
InChIKeyVIUAZMIBZKRLQN-UHFFFAOYSA-N
XLogP3.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[ethyl(methyl)amino]-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-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

4-(diethylamino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 42673855
4-[ethyl(methyl)amino]-N-[(4-fluorophenyl)methyl]phthalazine-1-carboxamide
CID 42690957
4-[ethyl(methyl)amino]-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-5-carboxamide
CID 42673443
5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 53490374
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 42674257
4-amino-2-(4-fluorophenyl)-N-methylpyrimidine-5-carboxamide
CID 83567202
1-ethyl-N-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 4157405
6-(dipropylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156713
2-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 46345614
N-[(4-methoxyphenyl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 53080240
N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824635
N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 18148195

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-[ethyl(methyl)amino]-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide (CID 83282097) is 4-[ethyl(methyl)amino]-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[ethyl(methyl)amino]-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[ethyl(methyl)amino]-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide is CCN(C)c1nc(-c2ccc(F)cc2)ncc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 4-[ethyl(methyl)amino]-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is VIUAZMIBZKRLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c1-3-27(2)20-18(21(28)25-12-14-4-8-16(22)9-5-14)13-24-19(26-20)15-6-10-17(23)11-7-15/h4-11,13H,3,12H2,1-2H3,(H,25,28).
What are the key properties of 4-[ethyl(methyl)amino]-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide?
4-[ethyl(methyl)amino]-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 382.41 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 83282097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).