2-(N-ethyl-4-fluoroanilino)-6-methylpyrimidine-4-carboxylic acid

C14H14FN3O2 — CID 107553719

IUPAC2-(N-ethyl-4-fluoroanilino)-6-methylpyrimidine-4-carboxylic acid
SMILESCCN(c1ccc(F)cc1)c1nc(C)cc(C(=O)O)n1
InChIInChI=1S/C14H14FN3O2/c1-3-18(11-6-4-10(15)5-7-11)14-16-9(2)8-12(17-14)13(19)20/h4-8H,3H2,1-2H3,(H,19,20)
InChIKeyONXCMQNQYFURBN-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.78
Rot. Bonds4

About 2-(N-ethyl-4-fluoroanilino)-6-methylpyrimidine-4-carboxylic acid

2-(N-ethyl-4-fluoroanilino)-6-methylpyrimidine-4-carboxylic acid (PubChem CID 107553719) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-(N-ethyl-4-fluoroanilino)-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(N-ethyl-4-fluoroanilino)-6-methylpyrimidine-4-carboxylic acid
PubChem CID107553719
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name2-(N-ethyl-4-fluoroanilino)-6-methylpyrimidine-4-carboxylic acid
SMILESCCN(c1ccc(F)cc1)c1nc(C)cc(C(=O)O)n1
InChIInChI=1S/C14H14FN3O2/c1-3-18(11-6-4-10(15)5-7-11)14-16-9(2)8-12(17-14)13(19)20/h4-8H,3H2,1-2H3,(H,19,20)
InChIKeyONXCMQNQYFURBN-UHFFFAOYSA-N
XLogP2.78
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(N-ethylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109336345
2-(N-ethylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336352
2-(N-ethyl-3-methylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328818
[2-(N-ethylanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325932
N-(2,6-dimethylphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336042
N-(2-ethoxyphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336367
2-(N-ethyl-3-fluoroanilino)-6-methylpyrimidine-4-carbothioamide
CID 107547162
2-(N-ethylanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332530
N-(4-bromophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine
CID 169336348
4-N-(4,6-dimethylpyrimidin-2-yl)-4-N-ethylbenzene-1,4-diamine
CID 2761111
2-[benzyl(ethyl)amino]-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109329511
2-(N-ethylanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327723

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-4-fluoroanilino)-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-(N-ethyl-4-fluoroanilino)-6-methylpyrimidine-4-carboxylic acid (CID 107553719) is 2-(N-ethyl-4-fluoroanilino)-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(N-ethyl-4-fluoroanilino)-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(N-ethyl-4-fluoroanilino)-6-methylpyrimidine-4-carboxylic acid is CCN(c1ccc(F)cc1)c1nc(C)cc(C(=O)O)n1.
What is the InChIKey of 2-(N-ethyl-4-fluoroanilino)-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is ONXCMQNQYFURBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-3-18(11-6-4-10(15)5-7-11)14-16-9(2)8-12(17-14)13(19)20/h4-8H,3H2,1-2H3,(H,19,20).
What are the key properties of 2-(N-ethyl-4-fluoroanilino)-6-methylpyrimidine-4-carboxylic acid?
2-(N-ethyl-4-fluoroanilino)-6-methylpyrimidine-4-carboxylic acid has a molecular weight of 275.28 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-4-fluoroanilino)-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 107553719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).