4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazine-2,4,6-triamine

C18H24N6 — CID 10496224

IUPAC4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(NC2CCCCC2)nc(NC2Cc3ccccc3C2)n1
InChIInChI=1S/C18H24N6/c19-16-22-17(20-14-8-2-1-3-9-14)24-18(23-16)21-15-10-12-6-4-5-7-13(12)11-15/h4-7,14-15H,1-3,8-11H2,(H4,19,20,21,22,23,24)
InChIKeyKEALMTAPYCEXPH-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.78
Rot. Bonds4

About 4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazine-2,4,6-triamine

4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 10496224) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID10496224
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(NC2CCCCC2)nc(NC2Cc3ccccc3C2)n1
InChIInChI=1S/C18H24N6/c19-16-22-17(20-14-8-2-1-3-9-14)24-18(23-16)21-15-10-12-6-4-5-7-13(12)11-15/h4-7,14-15H,1-3,8-11H2,(H4,19,20,21,22,23,24)
InChIKeyKEALMTAPYCEXPH-UHFFFAOYSA-N
XLogP2.78
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazine-2,4,6-triamine (CID 10496224) is 4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazine-2,4,6-triamine is Nc1nc(NC2CCCCC2)nc(NC2Cc3ccccc3C2)n1.
What is the InChIKey of 4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is KEALMTAPYCEXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c19-16-22-17(20-14-8-2-1-3-9-14)24-18(23-16)21-15-10-12-6-4-5-7-13(12)11-15/h4-7,14-15H,1-3,8-11H2,(H4,19,20,21,22,23,24).
What are the key properties of 4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazine-2,4,6-triamine?
4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 324.43 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 10496224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).