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

C10H8ClF2N5 — CID 166163840

IUPAC6-chloro-2-N-[(2,3-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cl)nc(NCc2cccc(F)c2F)n1
InChIInChI=1S/C10H8ClF2N5/c11-8-16-9(14)18-10(17-8)15-4-5-2-1-3-6(12)7(5)13/h1-3H,4H2,(H3,14,15,16,17,18)
InChIKeyRXDRUGQIAIMJKY-UHFFFAOYSA-N
MW271.66 g/mol
LogP2.00
Rot. Bonds3

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

6-chloro-2-N-[(2,3-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 166163840) has the molecular formula C10H8ClF2N5 and a molecular weight of 271.66 g/mol. Its IUPAC name is 6-chloro-2-N-[(2,3-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[(2,3-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID166163840
Molecular FormulaC10H8ClF2N5
Molecular Weight271.66 g/mol
Exact Mass271.04
IUPAC Name6-chloro-2-N-[(2,3-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cl)nc(NCc2cccc(F)c2F)n1
InChIInChI=1S/C10H8ClF2N5/c11-8-16-9(14)18-10(17-8)15-4-5-2-1-3-6(12)7(5)13/h1-3H,4H2,(H3,14,15,16,17,18)
InChIKeyRXDRUGQIAIMJKY-UHFFFAOYSA-N
XLogP2.00
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.66
LogP ≤ 52.00
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-[(2,3-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[(2,3-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine (CID 166163840) is 6-chloro-2-N-[(2,3-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[(2,3-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[(2,3-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine is Nc1nc(Cl)nc(NCc2cccc(F)c2F)n1.
What is the InChIKey of 6-chloro-2-N-[(2,3-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is RXDRUGQIAIMJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2N5/c11-8-16-9(14)18-10(17-8)15-4-5-2-1-3-6(12)7(5)13/h1-3H,4H2,(H3,14,15,16,17,18).
What are the key properties of 6-chloro-2-N-[(2,3-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[(2,3-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 271.66 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[(2,3-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 166163840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).