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

C13H19N5 — CID 21177173

IUPAC1-(3,4-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1C
InChIInChI=1S/C13H19N5/c1-8-5-6-10(7-9(8)2)18-12(15)16-11(14)17-13(18,3)4/h5-7H,1-4H3,(H4,14,15,16,17)
InChIKeyYNWRXRCHMCPNSF-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.49
Rot. Bonds1

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

1-(3,4-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 21177173) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID21177173
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name1-(3,4-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1C
InChIInChI=1S/C13H19N5/c1-8-5-6-10(7-9(8)2)18-12(15)16-11(14)17-13(18,3)4/h5-7H,1-4H3,(H4,14,15,16,17)
InChIKeyYNWRXRCHMCPNSF-UHFFFAOYSA-N
XLogP1.49
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 21177173) is 1-(3,4-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine is Cc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YNWRXRCHMCPNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-8-5-6-10(7-9(8)2)18-12(15)16-11(14)17-13(18,3)4/h5-7H,1-4H3,(H4,14,15,16,17).
What are the key properties of 1-(3,4-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
1-(3,4-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 245.33 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 21177173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).