4-N-(4-ethyl-3-methylphenyl)-5-fluoropyrimidine-2,4-diamine

C13H15FN4 — CID 114250651

IUPAC4-N-(4-ethyl-3-methylphenyl)-5-fluoropyrimidine-2,4-diamine
SMILESCCc1ccc(Nc2nc(N)ncc2F)cc1C
InChIInChI=1S/C13H15FN4/c1-3-9-4-5-10(6-8(9)2)17-12-11(14)7-16-13(15)18-12/h4-7H,3H2,1-2H3,(H3,15,16,17,18)
InChIKeyCIADNCKZVPATKZ-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.81
Rot. Bonds3

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

4-N-(4-ethyl-3-methylphenyl)-5-fluoropyrimidine-2,4-diamine (PubChem CID 114250651) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 4-N-(4-ethyl-3-methylphenyl)-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-ethyl-3-methylphenyl)-5-fluoropyrimidine-2,4-diamine
PubChem CID114250651
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name4-N-(4-ethyl-3-methylphenyl)-5-fluoropyrimidine-2,4-diamine
SMILESCCc1ccc(Nc2nc(N)ncc2F)cc1C
InChIInChI=1S/C13H15FN4/c1-3-9-4-5-10(6-8(9)2)17-12-11(14)7-16-13(15)18-12/h4-7H,3H2,1-2H3,(H3,15,16,17,18)
InChIKeyCIADNCKZVPATKZ-UHFFFAOYSA-N
XLogP2.81
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-ethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 80762166
4-N-(4-bromo-3,5-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 107580700
N-(4-ethyl-3-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 114250739
5-fluoro-4-N-(4-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 80759997
5-fluoro-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824688
4-N-(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 80761188
5-fluoro-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762276
5-fluoro-4-N-[3-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
CID 80802102
3,5-dibromo-N-(4-ethyl-3-methylphenyl)pyridin-2-amine
CID 114250505
2-N,4-N-bis(3-amino-4-methylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 22060880
4-N-(4-bromo-2,6-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 80847198
2-N-(4-amino-3-methylphenyl)-4-N-(4-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 142899048

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethyl-3-methylphenyl)-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-ethyl-3-methylphenyl)-5-fluoropyrimidine-2,4-diamine (CID 114250651) is 4-N-(4-ethyl-3-methylphenyl)-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-ethyl-3-methylphenyl)-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-ethyl-3-methylphenyl)-5-fluoropyrimidine-2,4-diamine is CCc1ccc(Nc2nc(N)ncc2F)cc1C.
What is the InChIKey of 4-N-(4-ethyl-3-methylphenyl)-5-fluoropyrimidine-2,4-diamine?
The InChIKey is CIADNCKZVPATKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-3-9-4-5-10(6-8(9)2)17-12-11(14)7-16-13(15)18-12/h4-7H,3H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 4-N-(4-ethyl-3-methylphenyl)-5-fluoropyrimidine-2,4-diamine?
4-N-(4-ethyl-3-methylphenyl)-5-fluoropyrimidine-2,4-diamine has a molecular weight of 246.29 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethyl-3-methylphenyl)-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 114250651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).