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

C16H26N6O2 — CID 7589329

IUPACN-cyclopentyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESC1CCC(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)C1
InChIInChI=1S/C16H26N6O2/c1-2-4-13(3-1)17-14-18-15(21-5-9-23-10-6-21)20-16(19-14)22-7-11-24-12-8-22/h13H,1-12H2,(H,17,18,19,20)
InChIKeyBIVVMJJBCPSCAK-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.90
Rot. Bonds4

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

N-cyclopentyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 7589329) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-cyclopentyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID7589329
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC NameN-cyclopentyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESC1CCC(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)C1
InChIInChI=1S/C16H26N6O2/c1-2-4-13(3-1)17-14-18-15(21-5-9-23-10-6-21)20-16(19-14)22-7-11-24-12-8-22/h13H,1-12H2,(H,17,18,19,20)
InChIKeyBIVVMJJBCPSCAK-UHFFFAOYSA-N
XLogP0.90
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-cyclopentyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 7589329) is N-cyclopentyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-cyclopentyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-cyclopentyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is C1CCC(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)C1.
What is the InChIKey of N-cyclopentyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is BIVVMJJBCPSCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-2-4-13(3-1)17-14-18-15(21-5-9-23-10-6-21)20-16(19-14)22-7-11-24-12-8-22/h13H,1-12H2,(H,17,18,19,20).
What are the key properties of N-cyclopentyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-cyclopentyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 334.42 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 7589329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).