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

C25H37N7 — CID 134088618

IUPAC4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine
SMILESc1ccc2c(c1)CC(Nc1nc(NCCN3CCCCC3)nc(NC3CCCCC3)n1)C2
InChIInChI=1S/C25H37N7/c1-3-11-21(12-4-1)27-24-29-23(26-13-16-32-14-7-2-8-15-32)30-25(31-24)28-22-17-19-9-5-6-10-20(19)18-22/h5-6,9-10,21-22H,1-4,7-8,11-18H2,(H3,26,27,28,29,30,31)
InChIKeyUMEXMJNSUKKHLL-UHFFFAOYSA-N
MW435.62 g/mol
LogP4.09
Rot. Bonds8

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

4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 134088618) has the molecular formula C25H37N7 and a molecular weight of 435.62 g/mol. Its IUPAC name is 4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID134088618
Molecular FormulaC25H37N7
Molecular Weight435.62 g/mol
Exact Mass435.31
IUPAC Name4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine
SMILESc1ccc2c(c1)CC(Nc1nc(NCCN3CCCCC3)nc(NC3CCCCC3)n1)C2
InChIInChI=1S/C25H37N7/c1-3-11-21(12-4-1)27-24-29-23(26-13-16-32-14-7-2-8-15-32)30-25(31-24)28-22-17-19-9-5-6-10-20(19)18-22/h5-6,9-10,21-22H,1-4,7-8,11-18H2,(H3,26,27,28,29,30,31)
InChIKeyUMEXMJNSUKKHLL-UHFFFAOYSA-N
XLogP4.09
TPSA78.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.62
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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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)-6-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine (CID 134088618) is 4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-piperidin-1-ylethyl)-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)-6-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine is c1ccc2c(c1)CC(Nc1nc(NCCN3CCCCC3)nc(NC3CCCCC3)n1)C2.
What is the InChIKey of 4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is UMEXMJNSUKKHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N7/c1-3-11-21(12-4-1)27-24-29-23(26-13-16-32-14-7-2-8-15-32)30-25(31-24)28-22-17-19-9-5-6-10-20(19)18-22/h5-6,9-10,21-22H,1-4,7-8,11-18H2,(H3,26,27,28,29,30,31).
What are the key properties of 4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine?
4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 435.62 g/mol, XLogP of 4.09, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 134088618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).