2-N,2-N,4-N-trimethyl-6-quinolin-8-yl-1,3,5-triazine-2,4-diamine

C15H16N6 — CID 81227653

IUPAC2-N,2-N,4-N-trimethyl-6-quinolin-8-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(-c2cccc3cccnc23)nc(N(C)C)n1
InChIInChI=1S/C15H16N6/c1-16-14-18-13(19-15(20-14)21(2)3)11-8-4-6-10-7-5-9-17-12(10)11/h4-9H,1-3H3,(H,16,18,19,20)
InChIKeyWAQIVMOIQNSLEW-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.19
Rot. Bonds3

About 2-N,2-N,4-N-trimethyl-6-quinolin-8-yl-1,3,5-triazine-2,4-diamine

2-N,2-N,4-N-trimethyl-6-quinolin-8-yl-1,3,5-triazine-2,4-diamine (PubChem CID 81227653) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-N,2-N,4-N-trimethyl-6-quinolin-8-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-trimethyl-6-quinolin-8-yl-1,3,5-triazine-2,4-diamine
PubChem CID81227653
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name2-N,2-N,4-N-trimethyl-6-quinolin-8-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(-c2cccc3cccnc23)nc(N(C)C)n1
InChIInChI=1S/C15H16N6/c1-16-14-18-13(19-15(20-14)21(2)3)11-8-4-6-10-7-5-9-17-12(10)11/h4-9H,1-3H3,(H,16,18,19,20)
InChIKeyWAQIVMOIQNSLEW-UHFFFAOYSA-N
XLogP2.19
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-trimethyl-6-quinolin-8-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-trimethyl-6-quinolin-8-yl-1,3,5-triazine-2,4-diamine (CID 81227653) is 2-N,2-N,4-N-trimethyl-6-quinolin-8-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-trimethyl-6-quinolin-8-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-trimethyl-6-quinolin-8-yl-1,3,5-triazine-2,4-diamine is CNc1nc(-c2cccc3cccnc23)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N,4-N-trimethyl-6-quinolin-8-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is WAQIVMOIQNSLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-16-14-18-13(19-15(20-14)21(2)3)11-8-4-6-10-7-5-9-17-12(10)11/h4-9H,1-3H3,(H,16,18,19,20).
What are the key properties of 2-N,2-N,4-N-trimethyl-6-quinolin-8-yl-1,3,5-triazine-2,4-diamine?
2-N,2-N,4-N-trimethyl-6-quinolin-8-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 280.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-trimethyl-6-quinolin-8-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 81227653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).