N-(4-ethoxyphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide

C20H19FN4O2 — CID 109336735

IUPACN-(4-ethoxyphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(C)nc(Nc3ccccc3F)n2)cc1
InChIInChI=1S/C20H19FN4O2/c1-3-27-15-10-8-14(9-11-15)23-19(26)18-12-13(2)22-20(25-18)24-17-7-5-4-6-16(17)21/h4-12H,3H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyNENUQKWZKUWOMK-UHFFFAOYSA-N
MW366.40 g/mol
LogP4.32
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide

N-(4-ethoxyphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109336735) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109336735
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-(4-ethoxyphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(C)nc(Nc3ccccc3F)n2)cc1
InChIInChI=1S/C20H19FN4O2/c1-3-27-15-10-8-14(9-11-15)23-19(26)18-12-13(2)22-20(25-18)24-17-7-5-4-6-16(17)21/h4-12H,3H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyNENUQKWZKUWOMK-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

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Related Compounds

2-(4-ethoxyanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109335167
2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335728
2-(4-ethoxyanilino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336231
N-(2-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109336791
2-(4-ethoxyanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337457
N-(2,6-difluorophenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336774
2-(2-fluoroanilino)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109336754
N-(4-ethoxyphenyl)-2-(2-ethyl-6-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336454
N-(4-methoxyphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
CID 109334759
2-(2-ethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337616
2-(2-fluoroanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336731
2-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109329005

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide (CID 109336735) is N-(4-ethoxyphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide is CCOc1ccc(NC(=O)c2cc(C)nc(Nc3ccccc3F)n2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is NENUQKWZKUWOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-3-27-15-10-8-14(9-11-15)23-19(26)18-12-13(2)22-20(25-18)24-17-7-5-4-6-16(17)21/h4-12H,3H2,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of N-(4-ethoxyphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide?
N-(4-ethoxyphenyl)-2-(2-fluoroanilino)-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 N-(4-ethoxyphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109336735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).