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

C10H11N5 — CID 29542

IUPAC6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(-c2nc(N)nc(N)n2)cc1
InChIInChI=1S/C10H11N5/c1-6-2-4-7(5-3-6)8-13-9(11)15-10(12)14-8/h2-5H,1H3,(H4,11,12,13,14,15)
InChIKeyDECZZKFYYMMMCQ-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.01
Rot. Bonds1

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

6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 29542) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID29542
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(-c2nc(N)nc(N)n2)cc1
InChIInChI=1S/C10H11N5/c1-6-2-4-7(5-3-6)8-13-9(11)15-10(12)14-8/h2-5H,1H3,(H4,11,12,13,14,15)
InChIKeyDECZZKFYYMMMCQ-UHFFFAOYSA-N
XLogP1.01
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 29542) is 6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is Cc1ccc(-c2nc(N)nc(N)n2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is DECZZKFYYMMMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c1-6-2-4-7(5-3-6)8-13-9(11)15-10(12)14-8/h2-5H,1H3,(H4,11,12,13,14,15).
What are the key properties of 6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 201.23 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 29542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).