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

C10H9F2N5 — CID 112746178

IUPAC2-N-[(2,4-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESNc1ncnc(NCc2ccc(F)cc2F)n1
InChIInChI=1S/C10H9F2N5/c11-7-2-1-6(8(12)3-7)4-14-10-16-5-15-9(13)17-10/h1-3,5H,4H2,(H3,13,14,15,16,17)
InChIKeyDRGQYKWAZHSCKI-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.34
Rot. Bonds3

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

2-N-[(2,4-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 112746178) has the molecular formula C10H9F2N5 and a molecular weight of 237.21 g/mol. Its IUPAC name is 2-N-[(2,4-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2,4-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID112746178
Molecular FormulaC10H9F2N5
Molecular Weight237.21 g/mol
Exact Mass237.08
IUPAC Name2-N-[(2,4-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESNc1ncnc(NCc2ccc(F)cc2F)n1
InChIInChI=1S/C10H9F2N5/c11-7-2-1-6(8(12)3-7)4-14-10-16-5-15-9(13)17-10/h1-3,5H,4H2,(H3,13,14,15,16,17)
InChIKeyDRGQYKWAZHSCKI-UHFFFAOYSA-N
XLogP1.34
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(2,4-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(2,4-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine (CID 112746178) is 2-N-[(2,4-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(2,4-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(2,4-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine is Nc1ncnc(NCc2ccc(F)cc2F)n1.
What is the InChIKey of 2-N-[(2,4-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is DRGQYKWAZHSCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N5/c11-7-2-1-6(8(12)3-7)4-14-10-16-5-15-9(13)17-10/h1-3,5H,4H2,(H3,13,14,15,16,17).
What are the key properties of 2-N-[(2,4-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
2-N-[(2,4-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 237.21 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2,4-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112746178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).