5-fluoro-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine

C11H10F2N4 — CID 80762276

IUPAC5-fluoro-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(F)cc1Nc1nc(N)ncc1F
InChIInChI=1S/C11H10F2N4/c1-6-2-3-7(12)4-9(6)16-10-8(13)5-15-11(14)17-10/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyBQKJOYWBUYNNRH-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.39
Rot. Bonds2

About 5-fluoro-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine

5-fluoro-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 80762276) has the molecular formula C11H10F2N4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 5-fluoro-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
PubChem CID80762276
Molecular FormulaC11H10F2N4
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name5-fluoro-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(F)cc1Nc1nc(N)ncc1F
InChIInChI=1S/C11H10F2N4/c1-6-2-3-7(12)4-9(6)16-10-8(13)5-15-11(14)17-10/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyBQKJOYWBUYNNRH-UHFFFAOYSA-N
XLogP2.39
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(5-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323664
3-N-(5-fluoro-2-methylphenyl)pyrazine-2,3-diamine
CID 102985191
N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80927969
2-N,4-N-bis(2,5-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 802949
4-N-(4-bromo-2,6-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 80847198
5-bromo-4-N-(2-bromo-5-fluorophenyl)pyrimidine-2,4-diamine
CID 107639334
4-N-(5-fluoro-2-methylphenyl)-2-methyl-1H-imidazole-4,5-diamine
CID 82235483
4-N-(4-bromo-3,5-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 107580700
4-N-(3-bromo-2-methylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 107638778
4-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine
CID 80755372
4-N-(4-ethyl-3-methylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 114250651
N-(2-chloro-5-fluorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 107531935

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine (CID 80762276) is 5-fluoro-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine is Cc1ccc(F)cc1Nc1nc(N)ncc1F.
What is the InChIKey of 5-fluoro-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is BQKJOYWBUYNNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4/c1-6-2-3-7(12)4-9(6)16-10-8(13)5-15-11(14)17-10/h2-5H,1H3,(H3,14,15,16,17).
What are the key properties of 5-fluoro-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine?
5-fluoro-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 236.23 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80762276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).