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

C19H22N6O2 — CID 1113674

IUPAC4-N-benzyl-2-N-(furan-2-ylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESc1ccc(CNc2nc(NCc3ccco3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H22N6O2/c1-2-5-15(6-3-1)13-20-17-22-18(21-14-16-7-4-10-27-16)24-19(23-17)25-8-11-26-12-9-25/h1-7,10H,8-9,11-14H2,(H2,20,21,22,23,24)
InChIKeyYLWCAHQTBFMUNY-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.53
Rot. Bonds7

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

4-N-benzyl-2-N-(furan-2-ylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 1113674) has the molecular formula C19H22N6O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(furan-2-ylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-(furan-2-ylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID1113674
Molecular FormulaC19H22N6O2
Molecular Weight366.42 g/mol
Exact Mass366.18
IUPAC Name4-N-benzyl-2-N-(furan-2-ylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESc1ccc(CNc2nc(NCc3ccco3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H22N6O2/c1-2-5-15(6-3-1)13-20-17-22-18(21-14-16-7-4-10-27-16)24-19(23-17)25-8-11-26-12-9-25/h1-7,10H,8-9,11-14H2,(H2,20,21,22,23,24)
InChIKeyYLWCAHQTBFMUNY-UHFFFAOYSA-N
XLogP2.53
TPSA88.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(furan-2-ylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-(furan-2-ylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 1113674) is 4-N-benzyl-2-N-(furan-2-ylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-(furan-2-ylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-(furan-2-ylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is c1ccc(CNc2nc(NCc3ccco3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-N-benzyl-2-N-(furan-2-ylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is YLWCAHQTBFMUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-2-5-15(6-3-1)13-20-17-22-18(21-14-16-7-4-10-27-16)24-19(23-17)25-8-11-26-12-9-25/h1-7,10H,8-9,11-14H2,(H2,20,21,22,23,24).
What are the key properties of 4-N-benzyl-2-N-(furan-2-ylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
4-N-benzyl-2-N-(furan-2-ylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 366.42 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-(furan-2-ylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1113674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).