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

C11H13N5 — CID 25163924

IUPAC6-(2,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(-c2nc(N)nc(N)n2)c(C)c1
InChIInChI=1S/C11H13N5/c1-6-3-4-8(7(2)5-6)9-14-10(12)16-11(13)15-9/h3-5H,1-2H3,(H4,12,13,14,15,16)
InChIKeyDJTGOSZVMBGNNV-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.32
Rot. Bonds1

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

6-(2,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 25163924) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID25163924
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name6-(2,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(-c2nc(N)nc(N)n2)c(C)c1
InChIInChI=1S/C11H13N5/c1-6-3-4-8(7(2)5-6)9-14-10(12)16-11(13)15-9/h3-5H,1-2H3,(H4,12,13,14,15,16)
InChIKeyDJTGOSZVMBGNNV-UHFFFAOYSA-N
XLogP1.32
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Benzoguanamine
CID 7064
6-(3-Methylphenyl)-1,3,5-triazine-2,4-diamine
CID 273487
1,3,5-Triazine-2,4-diamine, 6-(4-tert-butylphenyl)-
CID 615135
1,3,5-Triazine-2,4-diamine, 6-phenyl-N,N,N',N'-tetramethyl-
CID 150777
2,4-Diamino-6-(4-fluorophenyl)-1,3,5-triazine
CID 11390103
6-(3-Fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 12852432
s-Triazine, 2,2'-O-phenylene-bis(4,6-diamino-
CID 220912
2,4-Diamino-6-(4-methylphenyl)-1,3,5-triazine
CID 29542
2,4-Diamino-6-(3-(trifluoromethyl)phenyl)-1,3,5-triazine
CID 2782201
1,3,5-Triazine, 2-chloro-4,6-bis(2,4-dimethylphenyl)-
CID 71059
4-(Methylsulfanyl)-6-phenyl-1,3,5-triazin-2-amine
CID 12318923
4-(2-Methylphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 56681935

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine (CID 25163924) is 6-(2,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine is Cc1ccc(-c2nc(N)nc(N)n2)c(C)c1.
What is the InChIKey of 6-(2,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is DJTGOSZVMBGNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-6-3-4-8(7(2)5-6)9-14-10(12)16-11(13)15-9/h3-5H,1-2H3,(H4,12,13,14,15,16).
What are the key properties of 6-(2,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine?
6-(2,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 215.26 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 25163924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).