6-cyclohexyl-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine

C21H37N7O2 — CID 67592814

IUPAC6-cyclohexyl-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESC1CCC(c2nc(NCCN3CCOCC3)nc(NCCN3CCOCC3)n2)CC1
InChIInChI=1S/C21H37N7O2/c1-2-4-18(5-3-1)19-24-20(22-6-8-27-10-14-29-15-11-27)26-21(25-19)23-7-9-28-12-16-30-17-13-28/h18H,1-17H2,(H2,22,23,24,25,26)
InChIKeyJYRKCCQPIJPSPL-UHFFFAOYSA-N
MW419.57 g/mol
LogP1.41
Rot. Bonds9

About 6-cyclohexyl-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine

6-cyclohexyl-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 67592814) has the molecular formula C21H37N7O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 6-cyclohexyl-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-cyclohexyl-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID67592814
Molecular FormulaC21H37N7O2
Molecular Weight419.57 g/mol
Exact Mass419.30
IUPAC Name6-cyclohexyl-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESC1CCC(c2nc(NCCN3CCOCC3)nc(NCCN3CCOCC3)n2)CC1
InChIInChI=1S/C21H37N7O2/c1-2-4-18(5-3-1)19-24-20(22-6-8-27-10-14-29-15-11-27)26-21(25-19)23-7-9-28-12-16-30-17-13-28/h18H,1-17H2,(H2,22,23,24,25,26)
InChIKeyJYRKCCQPIJPSPL-UHFFFAOYSA-N
XLogP1.41
TPSA87.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-cyclohexyl-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine (CID 67592814) is 6-cyclohexyl-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-cyclohexyl-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-cyclohexyl-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine is C1CCC(c2nc(NCCN3CCOCC3)nc(NCCN3CCOCC3)n2)CC1.
What is the InChIKey of 6-cyclohexyl-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JYRKCCQPIJPSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N7O2/c1-2-4-18(5-3-1)19-24-20(22-6-8-27-10-14-29-15-11-27)26-21(25-19)23-7-9-28-12-16-30-17-13-28/h18H,1-17H2,(H2,22,23,24,25,26).
What are the key properties of 6-cyclohexyl-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
6-cyclohexyl-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 419.57 g/mol, XLogP of 1.41, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 67592814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).