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

C14H22ClN5 — CID 44531610

IUPAC6,6-dimethyl-1-(4-propylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCCCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1.Cl
InChIInChI=1S/C14H21N5.ClH/c1-4-5-10-6-8-11(9-7-10)19-13(16)17-12(15)18-14(19,2)3;/h6-9H,4-5H2,1-3H3,(H4,15,16,17,18);1H
InChIKeyKQAPZIDJJBNPLD-UHFFFAOYSA-N
MW295.82 g/mol
LogP2.25
Rot. Bonds3

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

6,6-dimethyl-1-(4-propylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 44531610) has the molecular formula C14H22ClN5 and a molecular weight of 295.82 g/mol. Its IUPAC name is 6,6-dimethyl-1-(4-propylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6,6-dimethyl-1-(4-propylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride
PubChem CID44531610
Molecular FormulaC14H22ClN5
Molecular Weight295.82 g/mol
Exact Mass295.16
IUPAC Name6,6-dimethyl-1-(4-propylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCCCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1.Cl
InChIInChI=1S/C14H21N5.ClH/c1-4-5-10-6-8-11(9-7-10)19-13(16)17-12(15)18-14(19,2)3;/h6-9H,4-5H2,1-3H3,(H4,15,16,17,18);1H
InChIKeyKQAPZIDJJBNPLD-UHFFFAOYSA-N
XLogP2.25
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 52.25
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-propylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride?
The IUPAC name of 6,6-dimethyl-1-(4-propylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride (CID 44531610) is 6,6-dimethyl-1-(4-propylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 6,6-dimethyl-1-(4-propylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 6,6-dimethyl-1-(4-propylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride is CCCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1.Cl.
What is the InChIKey of 6,6-dimethyl-1-(4-propylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride?
The InChIKey is KQAPZIDJJBNPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5.ClH/c1-4-5-10-6-8-11(9-7-10)19-13(16)17-12(15)18-14(19,2)3;/h6-9H,4-5H2,1-3H3,(H4,15,16,17,18);1H.
What are the key properties of 6,6-dimethyl-1-(4-propylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride?
6,6-dimethyl-1-(4-propylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 295.82 g/mol, XLogP of 2.25, 3 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-propylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 44531610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).