2-(2-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide

C20H19FN4O2 — CID 109305702

IUPAC2-(2-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1nccc(C(=O)NCc2ccc(F)cc2)n1
InChIInChI=1S/C20H19FN4O2/c1-2-27-18-6-4-3-5-16(18)24-20-22-12-11-17(25-20)19(26)23-13-14-7-9-15(21)10-8-14/h3-12H,2,13H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyQIJQIXFRKCXUBP-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.69
Rot. Bonds7

About 2-(2-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide

2-(2-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109305702) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-(2-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109305702
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name2-(2-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1nccc(C(=O)NCc2ccc(F)cc2)n1
InChIInChI=1S/C20H19FN4O2/c1-2-27-18-6-4-3-5-16(18)24-20-22-12-11-17(25-20)19(26)23-13-14-7-9-15(21)10-8-14/h3-12H,2,13H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyQIJQIXFRKCXUBP-UHFFFAOYSA-N
XLogP3.69
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethoxyanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307935
2-anilino-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305662
N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109316584
N-(2,6-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317819
2-(2,3-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305735
2-(2-ethoxyanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109317808
N-[(4-fluorophenyl)methyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109305700
2-(2-ethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313024
2-(2-ethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307652
2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109317811
2-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305715
2-(2-ethoxyanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313935

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide (CID 109305702) is 2-(2-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide is CCOc1ccccc1Nc1nccc(C(=O)NCc2ccc(F)cc2)n1.
What is the InChIKey of 2-(2-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is QIJQIXFRKCXUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-2-27-18-6-4-3-5-16(18)24-20-22-12-11-17(25-20)19(26)23-13-14-7-9-15(21)10-8-14/h3-12H,2,13H2,1H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-(2-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
2-(2-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109305702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).