N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide

C19H17FN4O2 — CID 109316584

IUPACN-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccnc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C19H17FN4O2/c1-2-26-17-6-4-3-5-15(17)23-18(25)16-11-12-21-19(24-16)22-14-9-7-13(20)8-10-14/h3-12H,2H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyLIJHGSWZQBHNCR-UHFFFAOYSA-N
MW352.37 g/mol
LogP4.01
Rot. Bonds6

About N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide

N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide (PubChem CID 109316584) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
PubChem CID109316584
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC NameN-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccnc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C19H17FN4O2/c1-2-26-17-6-4-3-5-15(17)23-18(25)16-11-12-21-19(24-16)22-14-9-7-13(20)8-10-14/h3-12H,2H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyLIJHGSWZQBHNCR-UHFFFAOYSA-N
XLogP4.01
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109315593
2-(2-ethoxyanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109317808
N-(2,6-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317819
2-(2-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305702
N-(2-ethoxyphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109316179
ethyl 4-[[4-[(2-methoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109317585
N-(2-methoxyphenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109314028
methyl 4-[[2-(2-ethoxyanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109317806
2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109317811
2-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109317827
2-(2-ethoxyanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313935
N-(2-tert-butylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109316365

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide (CID 109316584) is N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide is CCOc1ccccc1NC(=O)c1ccnc(Nc2ccc(F)cc2)n1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide?
The InChIKey is LIJHGSWZQBHNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-2-26-17-6-4-3-5-15(17)23-18(25)16-11-12-21-19(24-16)22-14-9-7-13(20)8-10-14/h3-12H,2H2,1H3,(H,23,25)(H,21,22,24).
What are the key properties of N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide?
N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109316584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).