2-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide

C21H21FN4O2 — CID 109328794

IUPAC2-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2nc(C)cc(C(=O)NCc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C21H21FN4O2/c1-3-28-18-10-8-17(9-11-18)25-21-24-14(2)12-19(26-21)20(27)23-13-15-4-6-16(22)7-5-15/h4-12H,3,13H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyIWPKIRLDDLYUKI-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.00
Rot. Bonds7

About 2-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide

2-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 109328794) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
PubChem CID109328794
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name2-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2nc(C)cc(C(=O)NCc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C21H21FN4O2/c1-3-28-18-10-8-17(9-11-18)25-21-24-14(2)12-19(26-21)20(27)23-13-15-4-6-16(22)7-5-15/h4-12H,3,13H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyIWPKIRLDDLYUKI-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(4-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109327296
2-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328770
2-(4-ethoxyanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109330057
4-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211451
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-fluorophenyl)methyl]benzamide
CID 108807948
2-(4-ethoxyanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109335167
2-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329366
2-(2,5-dimethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328764
2-(2-ethyl-6-methylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328772
2-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109329005
methyl 2-[[4-[(4-fluorophenyl)methylcarbamoyl]-6-methylpyrimidin-2-yl]amino]benzoate
CID 109328805
2-(4-ethoxyanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337457

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide (CID 109328794) is 2-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide is CCOc1ccc(Nc2nc(C)cc(C(=O)NCc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is IWPKIRLDDLYUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-3-28-18-10-8-17(9-11-18)25-21-24-14(2)12-19(26-21)20(27)23-13-15-4-6-16(22)7-5-15/h4-12H,3,13H2,1-2H3,(H,23,27)(H,24,25,26).
What are the key properties of 2-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide?
2-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109328794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).