6-(5-methylfuran-2-yl)-4-morpholin-4-ylpteridin-2-amine

C15H16N6O2 — CID 68775571

IUPAC6-(5-methylfuran-2-yl)-4-morpholin-4-ylpteridin-2-amine
SMILESCc1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)o1
InChIInChI=1S/C15H16N6O2/c1-9-2-3-11(23-9)10-8-17-13-12(18-10)14(20-15(16)19-13)21-4-6-22-7-5-21/h2-3,8H,4-7H2,1H3,(H2,16,17,19,20)
InChIKeyNYKUQOPLRQFGJB-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.41
Rot. Bonds2

About 6-(5-methylfuran-2-yl)-4-morpholin-4-ylpteridin-2-amine

6-(5-methylfuran-2-yl)-4-morpholin-4-ylpteridin-2-amine (PubChem CID 68775571) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 6-(5-methylfuran-2-yl)-4-morpholin-4-ylpteridin-2-amine.

Molecular Properties

Compound Name6-(5-methylfuran-2-yl)-4-morpholin-4-ylpteridin-2-amine
PubChem CID68775571
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name6-(5-methylfuran-2-yl)-4-morpholin-4-ylpteridin-2-amine
SMILESCc1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)o1
InChIInChI=1S/C15H16N6O2/c1-9-2-3-11(23-9)10-8-17-13-12(18-10)14(20-15(16)19-13)21-4-6-22-7-5-21/h2-3,8H,4-7H2,1H3,(H2,16,17,19,20)
InChIKeyNYKUQOPLRQFGJB-UHFFFAOYSA-N
XLogP1.41
TPSA103.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methylfuran-2-yl)-4-morpholin-4-ylpteridin-2-amine?
The IUPAC name of 6-(5-methylfuran-2-yl)-4-morpholin-4-ylpteridin-2-amine (CID 68775571) is 6-(5-methylfuran-2-yl)-4-morpholin-4-ylpteridin-2-amine.
What is the SMILES notation for 6-(5-methylfuran-2-yl)-4-morpholin-4-ylpteridin-2-amine?
The canonical SMILES for 6-(5-methylfuran-2-yl)-4-morpholin-4-ylpteridin-2-amine is Cc1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)o1.
What is the InChIKey of 6-(5-methylfuran-2-yl)-4-morpholin-4-ylpteridin-2-amine?
The InChIKey is NYKUQOPLRQFGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-9-2-3-11(23-9)10-8-17-13-12(18-10)14(20-15(16)19-13)21-4-6-22-7-5-21/h2-3,8H,4-7H2,1H3,(H2,16,17,19,20).
What are the key properties of 6-(5-methylfuran-2-yl)-4-morpholin-4-ylpteridin-2-amine?
6-(5-methylfuran-2-yl)-4-morpholin-4-ylpteridin-2-amine has a molecular weight of 312.33 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylfuran-2-yl)-4-morpholin-4-ylpteridin-2-amine is sourced from PubChem (CID 68775571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).