N-[[4-[[(4,6-difluoro-1,3,5-triazin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoro-1,3,5-triazin-2-amine

C14H10F4N8 — CID 58757244

IUPACN-[[4-[[(4,6-difluoro-1,3,5-triazin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoro-1,3,5-triazin-2-amine
SMILESFc1nc(F)nc(NCc2ccc(CNc3nc(F)nc(F)n3)cc2)n1
InChIInChI=1S/C14H10F4N8/c15-9-21-10(16)24-13(23-9)19-5-7-1-2-8(4-3-7)6-20-14-25-11(17)22-12(18)26-14/h1-4H,5-6H2,(H,19,21,23,24)(H,20,22,25,26)
InChIKeyIGHBYCJJPVRPSQ-UHFFFAOYSA-N
MW366.28 g/mol
LogP1.84
Rot. Bonds6

About N-[[4-[[(4,6-difluoro-1,3,5-triazin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoro-1,3,5-triazin-2-amine

N-[[4-[[(4,6-difluoro-1,3,5-triazin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoro-1,3,5-triazin-2-amine (PubChem CID 58757244) has the molecular formula C14H10F4N8 and a molecular weight of 366.28 g/mol. Its IUPAC name is N-[[4-[[(4,6-difluoro-1,3,5-triazin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoro-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[[4-[[(4,6-difluoro-1,3,5-triazin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoro-1,3,5-triazin-2-amine
PubChem CID58757244
Molecular FormulaC14H10F4N8
Molecular Weight366.28 g/mol
Exact Mass366.10
IUPAC NameN-[[4-[[(4,6-difluoro-1,3,5-triazin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoro-1,3,5-triazin-2-amine
SMILESFc1nc(F)nc(NCc2ccc(CNc3nc(F)nc(F)n3)cc2)n1
InChIInChI=1S/C14H10F4N8/c15-9-21-10(16)24-13(23-9)19-5-7-1-2-8(4-3-7)6-20-14-25-11(17)22-12(18)26-14/h1-4H,5-6H2,(H,19,21,23,24)(H,20,22,25,26)
InChIKeyIGHBYCJJPVRPSQ-UHFFFAOYSA-N
XLogP1.84
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(4,6-difluoro-1,3,5-triazin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoro-1,3,5-triazin-2-amine?
The IUPAC name of N-[[4-[[(4,6-difluoro-1,3,5-triazin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoro-1,3,5-triazin-2-amine (CID 58757244) is N-[[4-[[(4,6-difluoro-1,3,5-triazin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoro-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[[4-[[(4,6-difluoro-1,3,5-triazin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoro-1,3,5-triazin-2-amine?
The canonical SMILES for N-[[4-[[(4,6-difluoro-1,3,5-triazin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoro-1,3,5-triazin-2-amine is Fc1nc(F)nc(NCc2ccc(CNc3nc(F)nc(F)n3)cc2)n1.
What is the InChIKey of N-[[4-[[(4,6-difluoro-1,3,5-triazin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoro-1,3,5-triazin-2-amine?
The InChIKey is IGHBYCJJPVRPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N8/c15-9-21-10(16)24-13(23-9)19-5-7-1-2-8(4-3-7)6-20-14-25-11(17)22-12(18)26-14/h1-4H,5-6H2,(H,19,21,23,24)(H,20,22,25,26).
What are the key properties of N-[[4-[[(4,6-difluoro-1,3,5-triazin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoro-1,3,5-triazin-2-amine?
N-[[4-[[(4,6-difluoro-1,3,5-triazin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoro-1,3,5-triazin-2-amine has a molecular weight of 366.28 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(4,6-difluoro-1,3,5-triazin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoro-1,3,5-triazin-2-amine is sourced from PubChem (CID 58757244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).