3-methyl-6-phenyl-2H-1,3,5-triazine-2,4-diamine

C10H13N5 — CID 142941536

IUPAC3-methyl-6-phenyl-2H-1,3,5-triazine-2,4-diamine
SMILESCN1C(N)=NC(c2ccccc2)=NC1N
InChIInChI=1S/C10H13N5/c1-15-9(11)13-8(14-10(15)12)7-5-3-2-4-6-7/h2-6,9H,11H2,1H3,(H2,12,13,14)
InChIKeyKGQOBKKWRFIMDI-UHFFFAOYSA-N
MW203.25 g/mol
LogP-0.06
Rot. Bonds1

About 3-methyl-6-phenyl-2H-1,3,5-triazine-2,4-diamine

3-methyl-6-phenyl-2H-1,3,5-triazine-2,4-diamine (PubChem CID 142941536) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-methyl-6-phenyl-2H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name3-methyl-6-phenyl-2H-1,3,5-triazine-2,4-diamine
PubChem CID142941536
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name3-methyl-6-phenyl-2H-1,3,5-triazine-2,4-diamine
SMILESCN1C(N)=NC(c2ccccc2)=NC1N
InChIInChI=1S/C10H13N5/c1-15-9(11)13-8(14-10(15)12)7-5-3-2-4-6-7/h2-6,9H,11H2,1H3,(H2,12,13,14)
InChIKeyKGQOBKKWRFIMDI-UHFFFAOYSA-N
XLogP-0.06
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-2H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 3-methyl-6-phenyl-2H-1,3,5-triazine-2,4-diamine (CID 142941536) is 3-methyl-6-phenyl-2H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 3-methyl-6-phenyl-2H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 3-methyl-6-phenyl-2H-1,3,5-triazine-2,4-diamine is CN1C(N)=NC(c2ccccc2)=NC1N.
What is the InChIKey of 3-methyl-6-phenyl-2H-1,3,5-triazine-2,4-diamine?
The InChIKey is KGQOBKKWRFIMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-15-9(11)13-8(14-10(15)12)7-5-3-2-4-6-7/h2-6,9H,11H2,1H3,(H2,12,13,14).
What are the key properties of 3-methyl-6-phenyl-2H-1,3,5-triazine-2,4-diamine?
3-methyl-6-phenyl-2H-1,3,5-triazine-2,4-diamine has a molecular weight of 203.25 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-2H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 142941536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).