2-[(N-ethyl-3-fluoroanilino)methyl]-N,6-dimethylpyrimidin-4-amine

C15H19FN4 — CID 80657942

IUPAC2-[(N-ethyl-3-fluoroanilino)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCCN(Cc1nc(C)cc(NC)n1)c1cccc(F)c1
InChIInChI=1S/C15H19FN4/c1-4-20(13-7-5-6-12(16)9-13)10-15-18-11(2)8-14(17-3)19-15/h5-9H,4,10H2,1-3H3,(H,17,18,19)
InChIKeyFXYWSBLQPSPJMT-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.99
Rot. Bonds5

About 2-[(N-ethyl-3-fluoroanilino)methyl]-N,6-dimethylpyrimidin-4-amine

2-[(N-ethyl-3-fluoroanilino)methyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 80657942) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-[(N-ethyl-3-fluoroanilino)methyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(N-ethyl-3-fluoroanilino)methyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID80657942
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name2-[(N-ethyl-3-fluoroanilino)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCCN(Cc1nc(C)cc(NC)n1)c1cccc(F)c1
InChIInChI=1S/C15H19FN4/c1-4-20(13-7-5-6-12(16)9-13)10-15-18-11(2)8-14(17-3)19-15/h5-9H,4,10H2,1-3H3,(H,17,18,19)
InChIKeyFXYWSBLQPSPJMT-UHFFFAOYSA-N
XLogP2.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluoro-N-methylanilino)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657940
4-N,2-diethyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80934393
[2-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 62251604
2-[[butan-2-yl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657236
2-[(N-ethylanilino)methyl]-6-methylpyrimidin-4-amine
CID 80656838
2-ethyl-N,6-dimethylpyrimidin-4-amine
CID 62192654
6-[(3-fluoro-N-methylanilino)methyl]-N-methylpyridin-2-amine
CID 79243204
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-3-fluoroaniline;hydrochloride
CID 120751290
2-[(5-fluoro-2-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 102984950
2-[[cyclopentyl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657640
2-[(2,4-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80654762
2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]propane-1,2-diamine
CID 103191189

Frequently Asked Questions

What is the IUPAC name of 2-[(N-ethyl-3-fluoroanilino)methyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[(N-ethyl-3-fluoroanilino)methyl]-N,6-dimethylpyrimidin-4-amine (CID 80657942) is 2-[(N-ethyl-3-fluoroanilino)methyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(N-ethyl-3-fluoroanilino)methyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(N-ethyl-3-fluoroanilino)methyl]-N,6-dimethylpyrimidin-4-amine is CCN(Cc1nc(C)cc(NC)n1)c1cccc(F)c1.
What is the InChIKey of 2-[(N-ethyl-3-fluoroanilino)methyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is FXYWSBLQPSPJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-4-20(13-7-5-6-12(16)9-13)10-15-18-11(2)8-14(17-3)19-15/h5-9H,4,10H2,1-3H3,(H,17,18,19).
What are the key properties of 2-[(N-ethyl-3-fluoroanilino)methyl]-N,6-dimethylpyrimidin-4-amine?
2-[(N-ethyl-3-fluoroanilino)methyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 274.34 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-ethyl-3-fluoroanilino)methyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80657942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).