6-chloro-2-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine

C10H9ClFN5 — CID 80762147

IUPAC6-chloro-2-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2nc(N)nc(Cl)n2)cc1F
InChIInChI=1S/C10H9ClFN5/c1-5-2-3-6(4-7(5)12)14-10-16-8(11)15-9(13)17-10/h2-4H,1H3,(H3,13,14,15,16,17)
InChIKeyFHHPLLXSVSCWOX-UHFFFAOYSA-N
MW253.67 g/mol
LogP2.30
Rot. Bonds2

About 6-chloro-2-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80762147) has the molecular formula C10H9ClFN5 and a molecular weight of 253.67 g/mol. Its IUPAC name is 6-chloro-2-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID80762147
Molecular FormulaC10H9ClFN5
Molecular Weight253.67 g/mol
Exact Mass253.05
IUPAC Name6-chloro-2-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2nc(N)nc(Cl)n2)cc1F
InChIInChI=1S/C10H9ClFN5/c1-5-2-3-6(4-7(5)12)14-10-16-8(11)15-9(13)17-10/h2-4H,1H3,(H3,13,14,15,16,17)
InChIKeyFHHPLLXSVSCWOX-UHFFFAOYSA-N
XLogP2.30
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.67
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-N-(5-fluoro-2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762277
4-N-(3-fluoro-4-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112726031
4,6-dichloro-N-(4-chloro-3-fluorophenyl)-1,3,5-triazin-2-amine
CID 62870784
ethane;4-N-(3-fluoro-4-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 143338862
6-chloro-2-N-(2,5-difluorophenyl)-1,3,5-triazine-2,4-diamine
CID 80759681
6-chloro-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80759434
6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80762521
6-chloro-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80762662
6-chloro-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 616630
4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzonitrile
CID 80760660
4-N-(3,4-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80763289
3-chloro-1-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 113458519

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 80762147) is 6-chloro-2-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine is Cc1ccc(Nc2nc(N)nc(Cl)n2)cc1F.
What is the InChIKey of 6-chloro-2-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FHHPLLXSVSCWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN5/c1-5-2-3-6(4-7(5)12)14-10-16-8(11)15-9(13)17-10/h2-4H,1H3,(H3,13,14,15,16,17).
What are the key properties of 6-chloro-2-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 253.67 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80762147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).