6-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine

C10H10FN5 — CID 91872318

IUPAC6-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(Cc2ccc(F)cc2)n1
InChIInChI=1S/C10H10FN5/c11-7-3-1-6(2-4-7)5-8-14-9(12)16-10(13)15-8/h1-4H,5H2,(H4,12,13,14,15,16)
InChIKeyWEGKPDIHQBMRQS-UHFFFAOYSA-N
MW219.22 g/mol
LogP0.77
Rot. Bonds2

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

6-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 91872318) has the molecular formula C10H10FN5 and a molecular weight of 219.22 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID91872318
Molecular FormulaC10H10FN5
Molecular Weight219.22 g/mol
Exact Mass219.09
IUPAC Name6-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(Cc2ccc(F)cc2)n1
InChIInChI=1S/C10H10FN5/c11-7-3-1-6(2-4-7)5-8-14-9(12)16-10(13)15-8/h1-4H,5H2,(H4,12,13,14,15,16)
InChIKeyWEGKPDIHQBMRQS-UHFFFAOYSA-N
XLogP0.77
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine (CID 91872318) is 6-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(Cc2ccc(F)cc2)n1.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is WEGKPDIHQBMRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5/c11-7-3-1-6(2-4-7)5-8-14-9(12)16-10(13)15-8/h1-4H,5H2,(H4,12,13,14,15,16).
What are the key properties of 6-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine?
6-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 219.22 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 91872318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).