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

C9H6ClF2N5 — CID 80759681

IUPAC6-chloro-2-N-(2,5-difluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cl)nc(Nc2cc(F)ccc2F)n1
InChIInChI=1S/C9H6ClF2N5/c10-7-15-8(13)17-9(16-7)14-6-3-4(11)1-2-5(6)12/h1-3H,(H3,13,14,15,16,17)
InChIKeyVEMRVUMKYWPUJU-UHFFFAOYSA-N
MW257.63 g/mol
LogP2.13
Rot. Bonds2

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

6-chloro-2-N-(2,5-difluorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80759681) has the molecular formula C9H6ClF2N5 and a molecular weight of 257.63 g/mol. Its IUPAC name is 6-chloro-2-N-(2,5-difluorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2,5-difluorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID80759681
Molecular FormulaC9H6ClF2N5
Molecular Weight257.63 g/mol
Exact Mass257.03
IUPAC Name6-chloro-2-N-(2,5-difluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cl)nc(Nc2cc(F)ccc2F)n1
InChIInChI=1S/C9H6ClF2N5/c10-7-15-8(13)17-9(16-7)14-6-3-4(11)1-2-5(6)12/h1-3H,(H3,13,14,15,16,17)
InChIKeyVEMRVUMKYWPUJU-UHFFFAOYSA-N
XLogP2.13
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.63
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2,5-difluorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(2,5-difluorophenyl)-1,3,5-triazine-2,4-diamine (CID 80759681) is 6-chloro-2-N-(2,5-difluorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(2,5-difluorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(2,5-difluorophenyl)-1,3,5-triazine-2,4-diamine is Nc1nc(Cl)nc(Nc2cc(F)ccc2F)n1.
What is the InChIKey of 6-chloro-2-N-(2,5-difluorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VEMRVUMKYWPUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF2N5/c10-7-15-8(13)17-9(16-7)14-6-3-4(11)1-2-5(6)12/h1-3H,(H3,13,14,15,16,17).
What are the key properties of 6-chloro-2-N-(2,5-difluorophenyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(2,5-difluorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 257.63 g/mol, XLogP of 2.13, 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-(2,5-difluorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80759681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).