6,6-dimethyl-1-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride

C12H18ClN5 — CID 16804573

IUPAC6,6-dimethyl-1-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1.Cl
InChIInChI=1S/C12H17N5.ClH/c1-8-4-6-9(7-5-8)17-11(14)15-10(13)16-12(17,2)3;/h4-7H,1-3H3,(H4,13,14,15,16);1H
InChIKeyYPMIMCWABMFCKU-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.60
Rot. Bonds1

About 6,6-dimethyl-1-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride

6,6-dimethyl-1-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 16804573) has the molecular formula C12H18ClN5 and a molecular weight of 267.76 g/mol. Its IUPAC name is 6,6-dimethyl-1-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6,6-dimethyl-1-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride
PubChem CID16804573
Molecular FormulaC12H18ClN5
Molecular Weight267.76 g/mol
Exact Mass267.13
IUPAC Name6,6-dimethyl-1-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1.Cl
InChIInChI=1S/C12H17N5.ClH/c1-8-4-6-9(7-5-8)17-11(14)15-10(13)16-12(17,2)3;/h4-7H,1-3H3,(H4,13,14,15,16);1H
InChIKeyYPMIMCWABMFCKU-UHFFFAOYSA-N
XLogP1.60
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride?
The IUPAC name of 6,6-dimethyl-1-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride (CID 16804573) is 6,6-dimethyl-1-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 6,6-dimethyl-1-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 6,6-dimethyl-1-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride is Cc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1.Cl.
What is the InChIKey of 6,6-dimethyl-1-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride?
The InChIKey is YPMIMCWABMFCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5.ClH/c1-8-4-6-9(7-5-8)17-11(14)15-10(13)16-12(17,2)3;/h4-7H,1-3H3,(H4,13,14,15,16);1H.
What are the key properties of 6,6-dimethyl-1-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride?
6,6-dimethyl-1-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 16804573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).