6-(2-ethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide

C21H21FN4O2 — CID 109350972

IUPAC6-(2-ethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1cc(C(=O)NCCc2ccccc2F)ncn1
InChIInChI=1S/C21H21FN4O2/c1-2-28-19-10-6-5-9-17(19)26-20-13-18(24-14-25-20)21(27)23-12-11-15-7-3-4-8-16(15)22/h3-10,13-14H,2,11-12H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyNJNWZOMQGZTRSE-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.73
Rot. Bonds8

About 6-(2-ethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide

6-(2-ethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide (PubChem CID 109350972) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 6-(2-ethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-ethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
PubChem CID109350972
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name6-(2-ethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1cc(C(=O)NCCc2ccccc2F)ncn1
InChIInChI=1S/C21H21FN4O2/c1-2-28-19-10-6-5-9-17(19)26-20-13-18(24-14-25-20)21(27)23-12-11-15-7-3-4-8-16(15)22/h3-10,13-14H,2,11-12H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyNJNWZOMQGZTRSE-UHFFFAOYSA-N
XLogP3.73
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109352394
6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358001
N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109359004
6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350581
6-(2-ethylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338538
6-(2,3-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351251
N-[2-(2-fluorophenyl)ethyl]-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109284290
6-[2-(2-fluorophenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109350857
6-(2-ethoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122308
2-ethoxy-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 27847921
N-[2-(2-fluorophenyl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109122026
6-[2-(2-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109350845

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-ethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide (CID 109350972) is 6-(2-ethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-ethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-ethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide is CCOc1ccccc1Nc1cc(C(=O)NCCc2ccccc2F)ncn1.
What is the InChIKey of 6-(2-ethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is NJNWZOMQGZTRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-2-28-19-10-6-5-9-17(19)26-20-13-18(24-14-25-20)21(27)23-12-11-15-7-3-4-8-16(15)22/h3-10,13-14H,2,11-12H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of 6-(2-ethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide?
6-(2-ethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109350972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).