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

C18H23N5 — CID 10828703

IUPAC6-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NC2Cc3ccccc3C2)nc(C2CCCCC2)n1
InChIInChI=1S/C18H23N5/c19-17-21-16(12-6-2-1-3-7-12)22-18(23-17)20-15-10-13-8-4-5-9-14(13)11-15/h4-5,8-9,12,15H,1-3,6-7,10-11H2,(H3,19,20,21,22,23)
InChIKeyXMZFMGPJSAQYLZ-UHFFFAOYSA-N
MW309.42 g/mol
LogP3.08
Rot. Bonds3

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

6-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 10828703) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 6-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID10828703
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name6-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NC2Cc3ccccc3C2)nc(C2CCCCC2)n1
InChIInChI=1S/C18H23N5/c19-17-21-16(12-6-2-1-3-7-12)22-18(23-17)20-15-10-13-8-4-5-9-14(13)11-15/h4-5,8-9,12,15H,1-3,6-7,10-11H2,(H3,19,20,21,22,23)
InChIKeyXMZFMGPJSAQYLZ-UHFFFAOYSA-N
XLogP3.08
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazine-2,4-diamine (CID 10828703) is 6-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazine-2,4-diamine is Nc1nc(NC2Cc3ccccc3C2)nc(C2CCCCC2)n1.
What is the InChIKey of 6-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is XMZFMGPJSAQYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c19-17-21-16(12-6-2-1-3-7-12)22-18(23-17)20-15-10-13-8-4-5-9-14(13)11-15/h4-5,8-9,12,15H,1-3,6-7,10-11H2,(H3,19,20,21,22,23).
What are the key properties of 6-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazine-2,4-diamine?
6-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 309.42 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10828703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).