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

C10H11N5 — CID 704967

IUPAC2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2ncnc(N)n2)cc1
InChIInChI=1S/C10H11N5/c1-7-2-4-8(5-3-7)14-10-13-6-12-9(11)15-10/h2-6H,1H3,(H3,11,12,13,14,15)
InChIKeyLBFNSNKYVMKEFX-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.51
Rot. Bonds2

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

2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 704967) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID704967
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2ncnc(N)n2)cc1
InChIInChI=1S/C10H11N5/c1-7-2-4-8(5-3-7)14-10-13-6-12-9(11)15-10/h2-6H,1H3,(H3,11,12,13,14,15)
InChIKeyLBFNSNKYVMKEFX-UHFFFAOYSA-N
XLogP1.51
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 704967) is 2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is Cc1ccc(Nc2ncnc(N)n2)cc1.
What is the InChIKey of 2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LBFNSNKYVMKEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c1-7-2-4-8(5-3-7)14-10-13-6-12-9(11)15-10/h2-6H,1H3,(H3,11,12,13,14,15).
What are the key properties of 2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 201.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 704967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).