2-N,4-N-bis(cyclohexylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C21H36N6O — CID 139676118

IUPAC2-N,4-N-bis(cyclohexylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESC1CCC(CNc2nc(NCC3CCCCC3)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C21H36N6O/c1-3-7-17(8-4-1)15-22-19-24-20(23-16-18-9-5-2-6-10-18)26-21(25-19)27-11-13-28-14-12-27/h17-18H,1-16H2,(H2,22,23,24,25,26)
InChIKeyHVZLUIPNVIZEND-UHFFFAOYSA-N
MW388.56 g/mol
LogP3.69
Rot. Bonds7

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

2-N,4-N-bis(cyclohexylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 139676118) has the molecular formula C21H36N6O and a molecular weight of 388.56 g/mol. Its IUPAC name is 2-N,4-N-bis(cyclohexylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(cyclohexylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID139676118
Molecular FormulaC21H36N6O
Molecular Weight388.56 g/mol
Exact Mass388.30
IUPAC Name2-N,4-N-bis(cyclohexylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESC1CCC(CNc2nc(NCC3CCCCC3)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C21H36N6O/c1-3-7-17(8-4-1)15-22-19-24-20(23-16-18-9-5-2-6-10-18)26-21(25-19)27-11-13-28-14-12-27/h17-18H,1-16H2,(H2,22,23,24,25,26)
InChIKeyHVZLUIPNVIZEND-UHFFFAOYSA-N
XLogP3.69
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(cyclohexylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(cyclohexylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 139676118) is 2-N,4-N-bis(cyclohexylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(cyclohexylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(cyclohexylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is C1CCC(CNc2nc(NCC3CCCCC3)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of 2-N,4-N-bis(cyclohexylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is HVZLUIPNVIZEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N6O/c1-3-7-17(8-4-1)15-22-19-24-20(23-16-18-9-5-2-6-10-18)26-21(25-19)27-11-13-28-14-12-27/h17-18H,1-16H2,(H2,22,23,24,25,26).
What are the key properties of 2-N,4-N-bis(cyclohexylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(cyclohexylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 388.56 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(cyclohexylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 139676118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).