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

C14H21ClN6 — CID 71584599

IUPAC2-N,2-N-dimethyl-4-N-(2-propylphenyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride
SMILESCCCc1ccccc1Nc1nc(N)nc(N(C)C)n1.Cl
InChIInChI=1S/C14H20N6.ClH/c1-4-7-10-8-5-6-9-11(10)16-13-17-12(15)18-14(19-13)20(2)3;/h5-6,8-9H,4,7H2,1-3H3,(H3,15,16,17,18,19);1H
InChIKeyMNINIMANAGCJFT-UHFFFAOYSA-N
MW308.82 g/mol
LogP2.64
Rot. Bonds5

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

2-N,2-N-dimethyl-4-N-(2-propylphenyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride (PubChem CID 71584599) has the molecular formula C14H21ClN6 and a molecular weight of 308.82 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-(2-propylphenyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-(2-propylphenyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride
PubChem CID71584599
Molecular FormulaC14H21ClN6
Molecular Weight308.82 g/mol
Exact Mass308.15
IUPAC Name2-N,2-N-dimethyl-4-N-(2-propylphenyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride
SMILESCCCc1ccccc1Nc1nc(N)nc(N(C)C)n1.Cl
InChIInChI=1S/C14H20N6.ClH/c1-4-7-10-8-5-6-9-11(10)16-13-17-12(15)18-14(19-13)20(2)3;/h5-6,8-9H,4,7H2,1-3H3,(H3,15,16,17,18,19);1H
InChIKeyMNINIMANAGCJFT-UHFFFAOYSA-N
XLogP2.64
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.82
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-(2-propylphenyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The IUPAC name of 2-N,2-N-dimethyl-4-N-(2-propylphenyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride (CID 71584599) is 2-N,2-N-dimethyl-4-N-(2-propylphenyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-(2-propylphenyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-(2-propylphenyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride is CCCc1ccccc1Nc1nc(N)nc(N(C)C)n1.Cl.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-(2-propylphenyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The InChIKey is MNINIMANAGCJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6.ClH/c1-4-7-10-8-5-6-9-11(10)16-13-17-12(15)18-14(19-13)20(2)3;/h5-6,8-9H,4,7H2,1-3H3,(H3,15,16,17,18,19);1H.
What are the key properties of 2-N,2-N-dimethyl-4-N-(2-propylphenyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride?
2-N,2-N-dimethyl-4-N-(2-propylphenyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride has a molecular weight of 308.82 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-(2-propylphenyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride is sourced from PubChem (CID 71584599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).