2-(2-ethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide

C20H19FN4O2 — CID 109337616

IUPAC2-(2-ethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1nc(C)cc(C(=O)Nc2cccc(F)c2)n1
InChIInChI=1S/C20H19FN4O2/c1-3-27-18-10-5-4-9-16(18)24-20-22-13(2)11-17(25-20)19(26)23-15-8-6-7-14(21)12-15/h4-12H,3H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyPCJDXKFSLOATHK-UHFFFAOYSA-N
MW366.40 g/mol
LogP4.32
Rot. Bonds6

About 2-(2-ethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide

2-(2-ethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109337616) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-(2-ethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109337616
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name2-(2-ethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1nc(C)cc(C(=O)Nc2cccc(F)c2)n1
InChIInChI=1S/C20H19FN4O2/c1-3-27-18-10-5-4-9-16(18)24-20-22-13(2)11-17(25-20)19(26)23-15-8-6-7-14(21)12-15/h4-12H,3H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyPCJDXKFSLOATHK-UHFFFAOYSA-N
XLogP4.32
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-ethoxyanilino)-N-(3-fluorophenyl)-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

2-(2-ethoxyanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109317808
2-(3-acetylanilino)-N-(2-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337630
2-(4-fluoroanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336871
N-tert-butyl-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109332780
2-(2-ethoxyanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313935
N-(4-ethoxyphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336735
2-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337761
N-[2-(dimethylamino)ethyl]-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109325125
N-(3-fluorophenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317966
2-(2-ethoxyanilino)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109329813
2-(2-ethoxyanilino)-6-methylpyrimidine-4-carbothioamide
CID 107546227
N-(3-chloro-2-methylphenyl)-2-(3-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109337215

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2-ethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide (CID 109337616) is 2-(2-ethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-ethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-ethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide is CCOc1ccccc1Nc1nc(C)cc(C(=O)Nc2cccc(F)c2)n1.
What is the InChIKey of 2-(2-ethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is PCJDXKFSLOATHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-3-27-18-10-5-4-9-16(18)24-20-22-13(2)11-17(25-20)19(26)23-15-8-6-7-14(21)12-15/h4-12H,3H2,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-(2-ethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
2-(2-ethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109337616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).