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

C19H22N6O2 — CID 651460

IUPAC4-N-(furan-2-ylmethyl)-2-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(Nc2nc(NCc3ccco3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C19H22N6O2/c1-14-4-2-5-15(12-14)21-18-22-17(20-13-16-6-3-9-27-16)23-19(24-18)25-7-10-26-11-8-25/h2-6,9,12H,7-8,10-11,13H2,1H3,(H2,20,21,22,23,24)
InChIKeyXRIFRYRAMVQYND-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.97
Rot. Bonds6

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

4-N-(furan-2-ylmethyl)-2-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 651460) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)-2-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-2-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID651460
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name4-N-(furan-2-ylmethyl)-2-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(Nc2nc(NCc3ccco3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C19H22N6O2/c1-14-4-2-5-15(12-14)21-18-22-17(20-13-16-6-3-9-27-16)23-19(24-18)25-7-10-26-11-8-25/h2-6,9,12H,7-8,10-11,13H2,1H3,(H2,20,21,22,23,24)
InChIKeyXRIFRYRAMVQYND-UHFFFAOYSA-N
XLogP2.97
TPSA88.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.97
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)-2-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(furan-2-ylmethyl)-2-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 651460) is 4-N-(furan-2-ylmethyl)-2-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-2-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-2-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is Cc1cccc(Nc2nc(NCc3ccco3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-2-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is XRIFRYRAMVQYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-14-4-2-5-15(12-14)21-18-22-17(20-13-16-6-3-9-27-16)23-19(24-18)25-7-10-26-11-8-25/h2-6,9,12H,7-8,10-11,13H2,1H3,(H2,20,21,22,23,24).
What are the key properties of 4-N-(furan-2-ylmethyl)-2-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
4-N-(furan-2-ylmethyl)-2-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 366.43 g/mol, XLogP of 2.97, 6 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)-2-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 651460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).