N-cyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

C17H28N6O2 — CID 767098

IUPACN-cyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESC1CCC(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C17H28N6O2/c1-2-4-14(5-3-1)18-15-19-16(22-6-10-24-11-7-22)21-17(20-15)23-8-12-25-13-9-23/h14H,1-13H2,(H,18,19,20,21)
InChIKeyYJSFVRCIEQCRNA-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.29
Rot. Bonds4

About N-cyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

N-cyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 767098) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-cyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID767098
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC NameN-cyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESC1CCC(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C17H28N6O2/c1-2-4-14(5-3-1)18-15-19-16(22-6-10-24-11-7-22)21-17(20-15)23-8-12-25-13-9-23/h14H,1-13H2,(H,18,19,20,21)
InChIKeyYJSFVRCIEQCRNA-UHFFFAOYSA-N
XLogP1.29
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-cyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 767098) is N-cyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-cyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-cyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is C1CCC(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of N-cyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is YJSFVRCIEQCRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2/c1-2-4-14(5-3-1)18-15-19-16(22-6-10-24-11-7-22)21-17(20-15)23-8-12-25-13-9-23/h14H,1-13H2,(H,18,19,20,21).
What are the key properties of N-cyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-cyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 348.45 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 767098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).