2-N-(5,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-methyl-1,3,5-triazine-2,4-diamine

C15H19N5 — CID 58590408

IUPAC2-N-(5,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(NC2CCc3cc(C)c(C)cc32)n1
InChIInChI=1S/C15H19N5/c1-8-6-11-4-5-13(12(11)7-9(8)2)19-15-18-10(3)17-14(16)20-15/h6-7,13H,4-5H2,1-3H3,(H3,16,17,18,19,20)
InChIKeyZMQQPNJRNOSBMM-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.48
Rot. Bonds2

About 2-N-(5,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-methyl-1,3,5-triazine-2,4-diamine

2-N-(5,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 58590408) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-N-(5,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID58590408
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name2-N-(5,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(NC2CCc3cc(C)c(C)cc32)n1
InChIInChI=1S/C15H19N5/c1-8-6-11-4-5-13(12(11)7-9(8)2)19-15-18-10(3)17-14(16)20-15/h6-7,13H,4-5H2,1-3H3,(H3,16,17,18,19,20)
InChIKeyZMQQPNJRNOSBMM-UHFFFAOYSA-N
XLogP2.48
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(5,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-methyl-1,3,5-triazine-2,4-diamine (CID 58590408) is 2-N-(5,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(5,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(5,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-methyl-1,3,5-triazine-2,4-diamine is Cc1nc(N)nc(NC2CCc3cc(C)c(C)cc32)n1.
What is the InChIKey of 2-N-(5,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZMQQPNJRNOSBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-8-6-11-4-5-13(12(11)7-9(8)2)19-15-18-10(3)17-14(16)20-15/h6-7,13H,4-5H2,1-3H3,(H3,16,17,18,19,20).
What are the key properties of 2-N-(5,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-methyl-1,3,5-triazine-2,4-diamine?
2-N-(5,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 269.35 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58590408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).