4-N-(furan-2-ylmethyl)-6-morpholin-4-yl-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine

C21H26N6O2 — CID 647595

IUPAC4-N-(furan-2-ylmethyl)-6-morpholin-4-yl-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)c1ccc(Nc2nc(NCc3ccco3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H26N6O2/c1-15(2)16-5-7-17(8-6-16)23-20-24-19(22-14-18-4-3-11-29-18)25-21(26-20)27-9-12-28-13-10-27/h3-8,11,15H,9-10,12-14H2,1-2H3,(H2,22,23,24,25,26)
InChIKeyHXLGBQLQPXTICB-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.78
Rot. Bonds7

About 4-N-(furan-2-ylmethyl)-6-morpholin-4-yl-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine

4-N-(furan-2-ylmethyl)-6-morpholin-4-yl-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 647595) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)-6-morpholin-4-yl-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-6-morpholin-4-yl-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID647595
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name4-N-(furan-2-ylmethyl)-6-morpholin-4-yl-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)c1ccc(Nc2nc(NCc3ccco3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H26N6O2/c1-15(2)16-5-7-17(8-6-16)23-20-24-19(22-14-18-4-3-11-29-18)25-21(26-20)27-9-12-28-13-10-27/h3-8,11,15H,9-10,12-14H2,1-2H3,(H2,22,23,24,25,26)
InChIKeyHXLGBQLQPXTICB-UHFFFAOYSA-N
XLogP3.78
TPSA88.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-2-ylmethyl)-6-morpholin-4-yl-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(furan-2-ylmethyl)-6-morpholin-4-yl-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine (CID 647595) is 4-N-(furan-2-ylmethyl)-6-morpholin-4-yl-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-6-morpholin-4-yl-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-6-morpholin-4-yl-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine is CC(C)c1ccc(Nc2nc(NCc3ccco3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-6-morpholin-4-yl-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HXLGBQLQPXTICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-15(2)16-5-7-17(8-6-16)23-20-24-19(22-14-18-4-3-11-29-18)25-21(26-20)27-9-12-28-13-10-27/h3-8,11,15H,9-10,12-14H2,1-2H3,(H2,22,23,24,25,26).
What are the key properties of 4-N-(furan-2-ylmethyl)-6-morpholin-4-yl-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine?
4-N-(furan-2-ylmethyl)-6-morpholin-4-yl-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 394.48 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(furan-2-ylmethyl)-6-morpholin-4-yl-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 647595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).