2-(2-ethoxyanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide

C19H17FN4O2 — CID 109317808

IUPAC2-(2-ethoxyanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1nccc(C(=O)Nc2cccc(F)c2)n1
InChIInChI=1S/C19H17FN4O2/c1-2-26-17-9-4-3-8-15(17)23-19-21-11-10-16(24-19)18(25)22-14-7-5-6-13(20)12-14/h3-12H,2H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyWRSZXZVUGPIYKH-UHFFFAOYSA-N
MW352.37 g/mol
LogP4.01
Rot. Bonds6

About 2-(2-ethoxyanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide

2-(2-ethoxyanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109317808) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-(2-ethoxyanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethoxyanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
PubChem CID109317808
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name2-(2-ethoxyanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1nccc(C(=O)Nc2cccc(F)c2)n1
InChIInChI=1S/C19H17FN4O2/c1-2-26-17-9-4-3-8-15(17)23-19-21-11-10-16(24-19)18(25)22-14-7-5-6-13(20)12-14/h3-12H,2H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyWRSZXZVUGPIYKH-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

2-(2-ethoxyanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313935
N-(3-fluorophenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317966
2-(2-ethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337616
N-(2,6-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317819
N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109316584
methyl 4-[[2-(2-ethoxyanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109317806
2-(2-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305702
2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109317811
N-(3-fluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317996
2-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109317827
2-(2-ethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109315540
N-(2,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317538

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-ethoxyanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide (CID 109317808) is 2-(2-ethoxyanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-ethoxyanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-ethoxyanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide is CCOc1ccccc1Nc1nccc(C(=O)Nc2cccc(F)c2)n1.
What is the InChIKey of 2-(2-ethoxyanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is WRSZXZVUGPIYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-2-26-17-9-4-3-8-15(17)23-19-21-11-10-16(24-19)18(25)22-14-7-5-6-13(20)12-14/h3-12H,2H2,1H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-(2-ethoxyanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide?
2-(2-ethoxyanilino)-N-(3-fluorophenyl)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 2-(2-ethoxyanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109317808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).