2-(N-ethylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide

C20H19FN4O — CID 109336352

IUPAC2-(N-ethylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1nc(C)cc(C(=O)Nc2ccccc2F)n1
InChIInChI=1S/C20H19FN4O/c1-3-25(15-9-5-4-6-10-15)20-22-14(2)13-18(24-20)19(26)23-17-12-8-7-11-16(17)21/h4-13H,3H2,1-2H3,(H,23,26)
InChIKeyDHIYHAHYJHDNCU-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.33
Rot. Bonds5

About 2-(N-ethylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide

2-(N-ethylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109336352) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-(N-ethylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(N-ethylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109336352
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name2-(N-ethylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1nc(C)cc(C(=O)Nc2ccccc2F)n1
InChIInChI=1S/C20H19FN4O/c1-3-25(15-9-5-4-6-10-15)20-22-14(2)13-18(24-20)19(26)23-17-12-8-7-11-16(17)21/h4-13H,3H2,1-2H3,(H,23,26)
InChIKeyDHIYHAHYJHDNCU-UHFFFAOYSA-N
XLogP4.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336367
N-(2,6-dimethylphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336042
2-(diethylamino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109332221
2-(N-ethylanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332530
N-ethyl-2-(N-ethylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109336345
2-(N-ethyl-4-fluoroanilino)-6-methylpyrimidine-4-carboxylic acid
CID 107553719
2-anilino-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334548
2-(N-ethylanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327723
2-[benzyl(ethyl)amino]-N-(2-chlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109329512
2-(azepan-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334370
2-(N-benzylanilino)-N-butyl-6-methylpyrimidine-4-carboxamide
CID 109320759
N-(2-fluorophenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327406

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(N-ethylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide (CID 109336352) is 2-(N-ethylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(N-ethylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(N-ethylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide is CCN(c1ccccc1)c1nc(C)cc(C(=O)Nc2ccccc2F)n1.
What is the InChIKey of 2-(N-ethylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is DHIYHAHYJHDNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-3-25(15-9-5-4-6-10-15)20-22-14(2)13-18(24-20)19(26)23-17-12-8-7-11-16(17)21/h4-13H,3H2,1-2H3,(H,23,26).
What are the key properties of 2-(N-ethylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
2-(N-ethylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109336352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).