N-(furan-2-ylmethyl)-N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

C22H34N6O3 — CID 660236

IUPACN-(furan-2-ylmethyl)-N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCC(C)CCCN(Cc1ccco1)c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H34N6O3/c1-18(2)5-3-7-28(17-19-6-4-12-31-19)22-24-20(26-8-13-29-14-9-26)23-21(25-22)27-10-15-30-16-11-27/h4,6,12,18H,3,5,7-11,13-17H2,1-2H3
InChIKeyFNLUEYXENPGACY-UHFFFAOYSA-N
MW430.55 g/mol
LogP2.58
Rot. Bonds9

About N-(furan-2-ylmethyl)-N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

N-(furan-2-ylmethyl)-N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 660236) has the molecular formula C22H34N6O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID660236
Molecular FormulaC22H34N6O3
Molecular Weight430.55 g/mol
Exact Mass430.27
IUPAC NameN-(furan-2-ylmethyl)-N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCC(C)CCCN(Cc1ccco1)c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H34N6O3/c1-18(2)5-3-7-28(17-19-6-4-12-31-19)22-24-20(26-8-13-29-14-9-26)23-21(25-22)27-10-15-30-16-11-27/h4,6,12,18H,3,5,7-11,13-17H2,1-2H3
InChIKeyFNLUEYXENPGACY-UHFFFAOYSA-N
XLogP2.58
TPSA79.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 660236) is N-(furan-2-ylmethyl)-N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is CC(C)CCCN(Cc1ccco1)c1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is FNLUEYXENPGACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O3/c1-18(2)5-3-7-28(17-19-6-4-12-31-19)22-24-20(26-8-13-29-14-9-26)23-21(25-22)27-10-15-30-16-11-27/h4,6,12,18H,3,5,7-11,13-17H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-(furan-2-ylmethyl)-N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 430.55 g/mol, XLogP of 2.58, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 660236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).