6-(N-ethyl-3-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide

C22H23FN4O — CID 109351156

IUPAC6-(N-ethyl-3-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide
SMILESCCN(c1cccc(C)c1)c1cc(C(=O)NCCc2ccc(F)cc2)ncn1
InChIInChI=1S/C22H23FN4O/c1-3-27(19-6-4-5-16(2)13-19)21-14-20(25-15-26-21)22(28)24-12-11-17-7-9-18(23)10-8-17/h4-10,13-15H,3,11-12H2,1-2H3,(H,24,28)
InChIKeyUAPFJCODPBRFMA-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.05
Rot. Bonds7

About 6-(N-ethyl-3-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide

6-(N-ethyl-3-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide (PubChem CID 109351156) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 6-(N-ethyl-3-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(N-ethyl-3-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide
PubChem CID109351156
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name6-(N-ethyl-3-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide
SMILESCCN(c1cccc(C)c1)c1cc(C(=O)NCCc2ccc(F)cc2)ncn1
InChIInChI=1S/C22H23FN4O/c1-3-27(19-6-4-5-16(2)13-19)21-14-20(25-15-26-21)22(28)24-12-11-17-7-9-18(23)10-8-17/h4-10,13-15H,3,11-12H2,1-2H3,(H,24,28)
InChIKeyUAPFJCODPBRFMA-UHFFFAOYSA-N
XLogP4.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(N-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350583
5-(N-ethyl-3-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283898
N-(1,3-benzodioxol-5-ylmethyl)-6-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109349378
6-(N-ethyl-3-methylanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358783
N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4-carboxamide
CID 91628554
2-(N-ethyl-3-methylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328818
6-(N-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354322
N-[2-(4-fluorophenyl)ethyl]-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109338676
N-(1,3-benzodioxol-5-yl)-6-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109359739
N-(2,5-dimethoxyphenyl)-6-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109359227
N-[2-(dimethylamino)ethyl]-6-(N-ethyl-3-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 109366329
N-[2-(4-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109351495

Frequently Asked Questions

What is the IUPAC name of 6-(N-ethyl-3-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(N-ethyl-3-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide (CID 109351156) is 6-(N-ethyl-3-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(N-ethyl-3-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(N-ethyl-3-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide is CCN(c1cccc(C)c1)c1cc(C(=O)NCCc2ccc(F)cc2)ncn1.
What is the InChIKey of 6-(N-ethyl-3-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is UAPFJCODPBRFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-3-27(19-6-4-5-16(2)13-19)21-14-20(25-15-26-21)22(28)24-12-11-17-7-9-18(23)10-8-17/h4-10,13-15H,3,11-12H2,1-2H3,(H,24,28).
What are the key properties of 6-(N-ethyl-3-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide?
6-(N-ethyl-3-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-ethyl-3-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109351156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).