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

C11H13N5 — CID 91872323

IUPAC6-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Cc2nc(N)nc(N)n2)cc1
InChIInChI=1S/C11H13N5/c1-7-2-4-8(5-3-7)6-9-14-10(12)16-11(13)15-9/h2-5H,6H2,1H3,(H4,12,13,14,15,16)
InChIKeyQAELVUSFMGVRHI-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.94
Rot. Bonds2

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

6-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 91872323) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 6-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID91872323
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name6-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Cc2nc(N)nc(N)n2)cc1
InChIInChI=1S/C11H13N5/c1-7-2-4-8(5-3-7)6-9-14-10(12)16-11(13)15-9/h2-5H,6H2,1H3,(H4,12,13,14,15,16)
InChIKeyQAELVUSFMGVRHI-UHFFFAOYSA-N
XLogP0.94
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine (CID 91872323) is 6-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine is Cc1ccc(Cc2nc(N)nc(N)n2)cc1.
What is the InChIKey of 6-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is QAELVUSFMGVRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-7-2-4-8(5-3-7)6-9-14-10(12)16-11(13)15-9/h2-5H,6H2,1H3,(H4,12,13,14,15,16).
What are the key properties of 6-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine?
6-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 215.26 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 91872323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).