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

C12H17N5 — CID 651581

IUPAC4,4-dimethyl-2-N-(2-methylphenyl)-1H-1,3,5-triazine-2,6-diamine
SMILESCc1ccccc1NC1=NC(C)(C)N=C(N)N1
InChIInChI=1S/C12H17N5/c1-8-6-4-5-7-9(8)14-11-15-10(13)16-12(2,3)17-11/h4-7H,1-3H3,(H4,13,14,15,16,17)
InChIKeyBSBZXWIQLSREJM-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.42
Rot. Bonds1

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

4,4-dimethyl-2-N-(2-methylphenyl)-1H-1,3,5-triazine-2,6-diamine (PubChem CID 651581) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 4,4-dimethyl-2-N-(2-methylphenyl)-1H-1,3,5-triazine-2,6-diamine.

Molecular Properties

Compound Name4,4-dimethyl-2-N-(2-methylphenyl)-1H-1,3,5-triazine-2,6-diamine
PubChem CID651581
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name4,4-dimethyl-2-N-(2-methylphenyl)-1H-1,3,5-triazine-2,6-diamine
SMILESCc1ccccc1NC1=NC(C)(C)N=C(N)N1
InChIInChI=1S/C12H17N5/c1-8-6-4-5-7-9(8)14-11-15-10(13)16-12(2,3)17-11/h4-7H,1-3H3,(H4,13,14,15,16,17)
InChIKeyBSBZXWIQLSREJM-UHFFFAOYSA-N
XLogP1.42
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6-amino-4,4-dimethyl-1H-1,3,5-triazin-2-yl)amino]benzenesulfonamide
CID 170987803
N-(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 90678855
3-amino-6-(2-methylanilino)pyridine-2-carbonitrile
CID 103467468
6-chloro-1-N-(2-methylphenyl)naphthalene-1,4-diamine
CID 86577123
3-N-(2-methylphenyl)quinoxaline-2,3-diamine
CID 102985280
2-N-(2-methylphenyl)pyridine-2,3-diamine
CID 13143782
2-amino-4-methyl-4-(2-methylphenyl)-1H-imidazol-5-one
CID 82997474
5-chloro-2-methyl-3-N-(2-methylphenyl)benzene-1,3-diamine
CID 154647622
1,3-dimethyl-5-N-(2-methylphenyl)pyrazole-4,5-diamine
CID 43554200
6-chloro-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 616630
5,5-dimethyl-N-(2-methylphenyl)-4H-1,3-thiazol-2-amine
CID 2802278
N-(2-methylphenyl)-1H-pyrazol-4-amine
CID 125450527

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-N-(2-methylphenyl)-1H-1,3,5-triazine-2,6-diamine?
The IUPAC name of 4,4-dimethyl-2-N-(2-methylphenyl)-1H-1,3,5-triazine-2,6-diamine (CID 651581) is 4,4-dimethyl-2-N-(2-methylphenyl)-1H-1,3,5-triazine-2,6-diamine.
What is the SMILES notation for 4,4-dimethyl-2-N-(2-methylphenyl)-1H-1,3,5-triazine-2,6-diamine?
The canonical SMILES for 4,4-dimethyl-2-N-(2-methylphenyl)-1H-1,3,5-triazine-2,6-diamine is Cc1ccccc1NC1=NC(C)(C)N=C(N)N1.
What is the InChIKey of 4,4-dimethyl-2-N-(2-methylphenyl)-1H-1,3,5-triazine-2,6-diamine?
The InChIKey is BSBZXWIQLSREJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-8-6-4-5-7-9(8)14-11-15-10(13)16-12(2,3)17-11/h4-7H,1-3H3,(H4,13,14,15,16,17).
What are the key properties of 4,4-dimethyl-2-N-(2-methylphenyl)-1H-1,3,5-triazine-2,6-diamine?
4,4-dimethyl-2-N-(2-methylphenyl)-1H-1,3,5-triazine-2,6-diamine has a molecular weight of 231.30 g/mol, XLogP of 1.42, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-N-(2-methylphenyl)-1H-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 651581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).