4-N-(4-ethylphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine

C13H15FN4 — CID 80761999

IUPAC4-N-(4-ethylphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
SMILESCCc1ccc(Nc2nc(NC)ncc2F)cc1
InChIInChI=1S/C13H15FN4/c1-3-9-4-6-10(7-5-9)17-12-11(14)8-16-13(15-2)18-12/h4-8H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeyNQIYFXZMNYETGZ-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.96
Rot. Bonds4

About 4-N-(4-ethylphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine

4-N-(4-ethylphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80761999) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 4-N-(4-ethylphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-ethylphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
PubChem CID80761999
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name4-N-(4-ethylphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
SMILESCCc1ccc(Nc2nc(NC)ncc2F)cc1
InChIInChI=1S/C13H15FN4/c1-3-9-4-6-10(7-5-9)17-12-11(14)8-16-13(15-2)18-12/h4-8H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeyNQIYFXZMNYETGZ-UHFFFAOYSA-N
XLogP2.96
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761234
5-fluoro-4-N-(4-iodophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80763314
4-N-(4-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80761361
5-fluoro-2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine
CID 954308
4-N-(4-tert-butylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80736680
5-bromo-2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine
CID 80780077
4-N-(2,3-dihydro-1H-inden-5-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80762685
N-(3-ethylphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80927980
2-N-ethyl-5-fluoro-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 80768448
5-fluoro-2-N-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine
CID 107647119
2-N,4-N-bis[4-(dimethylamino)phenyl]-5-fluoropyrimidine-2,4-diamine
CID 22060718
5-chloro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761316

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethylphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-ethylphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine (CID 80761999) is 4-N-(4-ethylphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-ethylphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-ethylphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine is CCc1ccc(Nc2nc(NC)ncc2F)cc1.
What is the InChIKey of 4-N-(4-ethylphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is NQIYFXZMNYETGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-3-9-4-6-10(7-5-9)17-12-11(14)8-16-13(15-2)18-12/h4-8H,3H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N-(4-ethylphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
4-N-(4-ethylphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 246.29 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethylphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80761999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).