2-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide

C20H19FN4O3 — CID 109337761

IUPAC2-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nc(C)cc(C(=O)Nc3cccc(F)c3)n2)cc1OC
InChIInChI=1S/C20H19FN4O3/c1-12-9-16(19(26)23-14-6-4-5-13(21)10-14)25-20(22-12)24-15-7-8-17(27-2)18(11-15)28-3/h4-11H,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyZOOLLKUYFUKOFI-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.94
Rot. Bonds6

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

2-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109337761) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 2-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109337761
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name2-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nc(C)cc(C(=O)Nc3cccc(F)c3)n2)cc1OC
InChIInChI=1S/C20H19FN4O3/c1-12-9-16(19(26)23-14-6-4-5-13(21)10-14)25-20(22-12)24-15-7-8-17(27-2)18(11-15)28-3/h4-11H,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyZOOLLKUYFUKOFI-UHFFFAOYSA-N
XLogP3.94
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluoroanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336871
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336848
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336845
4-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109222036
N-(3-acetamidophenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336863
2-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335782
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335636
N-(3,4-dimethoxyphenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328498
N-(2-cyanophenyl)-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337762
2-(2-ethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337616
2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334663
N-(3-chloro-2-methylphenyl)-2-(3-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109337215

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide (CID 109337761) is 2-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide is COc1ccc(Nc2nc(C)cc(C(=O)Nc3cccc(F)c3)n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is ZOOLLKUYFUKOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-12-9-16(19(26)23-14-6-4-5-13(21)10-14)25-20(22-12)24-15-7-8-17(27-2)18(11-15)28-3/h4-11H,1-3H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
2-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109337761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).