4-N-benzyl-2-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C20H28N6O — CID 1275925

IUPAC4-N-benzyl-2-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESc1ccc(CNc2nc(NC3CCCCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H28N6O/c1-3-7-16(8-4-1)15-21-18-23-19(22-17-9-5-2-6-10-17)25-20(24-18)26-11-13-27-14-12-26/h1,3-4,7-8,17H,2,5-6,9-15H2,(H2,21,22,23,24,25)
InChIKeyOGVYKQYZMCQZRV-UHFFFAOYSA-N
MW368.49 g/mol
LogP3.06
Rot. Bonds6

About 4-N-benzyl-2-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

4-N-benzyl-2-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 1275925) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 4-N-benzyl-2-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID1275925
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name4-N-benzyl-2-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESc1ccc(CNc2nc(NC3CCCCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H28N6O/c1-3-7-16(8-4-1)15-21-18-23-19(22-17-9-5-2-6-10-17)25-20(24-18)26-11-13-27-14-12-26/h1,3-4,7-8,17H,2,5-6,9-15H2,(H2,21,22,23,24,25)
InChIKeyOGVYKQYZMCQZRV-UHFFFAOYSA-N
XLogP3.06
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 1275925) is 4-N-benzyl-2-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is c1ccc(CNc2nc(NC3CCCCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-N-benzyl-2-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is OGVYKQYZMCQZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-3-7-16(8-4-1)15-21-18-23-19(22-17-9-5-2-6-10-17)25-20(24-18)26-11-13-27-14-12-26/h1,3-4,7-8,17H,2,5-6,9-15H2,(H2,21,22,23,24,25).
What are the key properties of 4-N-benzyl-2-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
4-N-benzyl-2-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 368.49 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1275925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).