6-chloro-2-N-(2-fluorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine

C10H9ClFN5 — CID 80818336

IUPAC6-chloro-2-N-(2-fluorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCN(c1nc(N)nc(Cl)n1)c1ccccc1F
InChIInChI=1S/C10H9ClFN5/c1-17(7-5-3-2-4-6(7)12)10-15-8(11)14-9(13)16-10/h2-5H,1H3,(H2,13,14,15,16)
InChIKeyGITJXLOQYKMWPG-UHFFFAOYSA-N
MW253.67 g/mol
LogP2.01
Rot. Bonds2

About 6-chloro-2-N-(2-fluorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(2-fluorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80818336) has the molecular formula C10H9ClFN5 and a molecular weight of 253.67 g/mol. Its IUPAC name is 6-chloro-2-N-(2-fluorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2-fluorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80818336
Molecular FormulaC10H9ClFN5
Molecular Weight253.67 g/mol
Exact Mass253.05
IUPAC Name6-chloro-2-N-(2-fluorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCN(c1nc(N)nc(Cl)n1)c1ccccc1F
InChIInChI=1S/C10H9ClFN5/c1-17(7-5-3-2-4-6(7)12)10-15-8(11)14-9(13)16-10/h2-5H,1H3,(H2,13,14,15,16)
InChIKeyGITJXLOQYKMWPG-UHFFFAOYSA-N
XLogP2.01
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.67
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-N-(2-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80816535
2-N-(2-fluorophenyl)-6-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 66802887
6-chloro-2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80818220
6-chloro-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80793890
N-(2-fluorophenyl)-5-iodo-N-methylpyrimidin-2-amine
CID 116648957
2-N-(5-chloro-2-fluorophenyl)-2-N-methylbenzene-1,2-diamine
CID 115124390
6-chloro-N-(2-fluorophenyl)-N,2,5-trimethylpyrimidin-4-amine
CID 63728003
4-chloro-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 83156953
4-chloro-6-ethoxy-N-ethyl-N-(2-fluorophenyl)-1,3,5-triazin-2-amine
CID 62858407
5-chloro-6-fluoro-1-N-(2-fluorophenyl)-1-N-methylbenzene-1,2,4-triamine
CID 103552991
2-N-(2-chlorophenyl)-2-N-methyl-6-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine
CID 56941264
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]benzonitrile
CID 80852633

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2-fluorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(2-fluorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine (CID 80818336) is 6-chloro-2-N-(2-fluorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(2-fluorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(2-fluorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine is CN(c1nc(N)nc(Cl)n1)c1ccccc1F.
What is the InChIKey of 6-chloro-2-N-(2-fluorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GITJXLOQYKMWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN5/c1-17(7-5-3-2-4-6(7)12)10-15-8(11)14-9(13)16-10/h2-5H,1H3,(H2,13,14,15,16).
What are the key properties of 6-chloro-2-N-(2-fluorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(2-fluorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 253.67 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2-fluorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80818336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).