4-N-(3-ethylphenyl)-5-fluoropyrimidine-2,4-diamine

C12H13FN4 — CID 80762166

IUPAC4-N-(3-ethylphenyl)-5-fluoropyrimidine-2,4-diamine
SMILESCCc1cccc(Nc2nc(N)ncc2F)c1
InChIInChI=1S/C12H13FN4/c1-2-8-4-3-5-9(6-8)16-11-10(13)7-15-12(14)17-11/h3-7H,2H2,1H3,(H3,14,15,16,17)
InChIKeyHWRWAEZSDAPEJN-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.50
Rot. Bonds3

About 4-N-(3-ethylphenyl)-5-fluoropyrimidine-2,4-diamine

4-N-(3-ethylphenyl)-5-fluoropyrimidine-2,4-diamine (PubChem CID 80762166) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-N-(3-ethylphenyl)-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-ethylphenyl)-5-fluoropyrimidine-2,4-diamine
PubChem CID80762166
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name4-N-(3-ethylphenyl)-5-fluoropyrimidine-2,4-diamine
SMILESCCc1cccc(Nc2nc(N)ncc2F)c1
InChIInChI=1S/C12H13FN4/c1-2-8-4-3-5-9(6-8)16-11-10(13)7-15-12(14)17-11/h3-7H,2H2,1H3,(H3,14,15,16,17)
InChIKeyHWRWAEZSDAPEJN-UHFFFAOYSA-N
XLogP2.50
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-4-N-[3-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
CID 80802102
N-(3-ethylphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80927980
2-chloro-N-(3-ethylphenyl)-5-fluoropyrimidin-4-amine
CID 79080610
4-N-(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 80761188
4-N-(4-ethyl-3-methylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 114250651
3-[(2-amino-5-fluoropyrimidin-4-yl)amino]benzonitrile
CID 80760407
5-bromo-2-N-(3-ethylphenyl)pyrazine-2,3-diamine
CID 86661943
2-N-(3-ethylphenyl)pyridine-2,5-diamine
CID 20714461
5-fluoro-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824688
5-fluoro-4-N-(4-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 80759997
2-N-(3-ethylphenyl)-4-methylpyridine-2,3-diamine
CID 20714444
6-chloro-2-N-(3-ethylphenyl)pyridine-2,3-diamine
CID 113316737

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-ethylphenyl)-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-ethylphenyl)-5-fluoropyrimidine-2,4-diamine (CID 80762166) is 4-N-(3-ethylphenyl)-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-ethylphenyl)-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-ethylphenyl)-5-fluoropyrimidine-2,4-diamine is CCc1cccc(Nc2nc(N)ncc2F)c1.
What is the InChIKey of 4-N-(3-ethylphenyl)-5-fluoropyrimidine-2,4-diamine?
The InChIKey is HWRWAEZSDAPEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-2-8-4-3-5-9(6-8)16-11-10(13)7-15-12(14)17-11/h3-7H,2H2,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-(3-ethylphenyl)-5-fluoropyrimidine-2,4-diamine?
4-N-(3-ethylphenyl)-5-fluoropyrimidine-2,4-diamine has a molecular weight of 232.26 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-ethylphenyl)-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 80762166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).