6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine

C18H17N7O — CID 24794753

IUPAC6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine
SMILESNc1nc(N2CCOCC2)c2nc(-c3ccc4[nH]ccc4c3)cnc2n1
InChIInChI=1S/C18H17N7O/c19-18-23-16-15(17(24-18)25-5-7-26-8-6-25)22-14(10-21-16)11-1-2-13-12(9-11)3-4-20-13/h1-4,9-10,20H,5-8H2,(H2,19,21,23,24)
InChIKeyDURVLPQMEQWDTE-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.99
Rot. Bonds2

About 6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine

6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine (PubChem CID 24794753) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine.

Molecular Properties

Compound Name6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine
PubChem CID24794753
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine
SMILESNc1nc(N2CCOCC2)c2nc(-c3ccc4[nH]ccc4c3)cnc2n1
InChIInChI=1S/C18H17N7O/c19-18-23-16-15(17(24-18)25-5-7-26-8-6-25)22-14(10-21-16)11-1-2-13-12(9-11)3-4-20-13/h1-4,9-10,20H,5-8H2,(H2,19,21,23,24)
InChIKeyDURVLPQMEQWDTE-UHFFFAOYSA-N
XLogP1.99
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(1,3-benzodioxol-5-yl)-4-morpholin-4-ylpteridin-2-amine
CID 11175594
5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-2,3-dihydroinden-1-one
CID 68773160
6-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine
CID 68776110
4-morpholin-4-yl-6-(6-piperazin-1-yl-3-pyridinyl)pteridin-2-amine
CID 68774659
[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-morpholin-4-ylmethanone
CID 68775123
6-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylpteridin-2-amine
CID 68775912
6-(6-fluoro-5-methyl-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine
CID 68779083
2-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenol
CID 135617046
6-(2-amino-5-chlorophenyl)-4-morpholin-4-ylpteridin-2-amine
CID 68777194
6-(4-amino-2-methylphenyl)-4-morpholin-4-ylpteridin-2-amine
CID 24794998
6-(5-methylfuran-2-yl)-4-morpholin-4-ylpteridin-2-amine
CID 68775571
[3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 68777874

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine?
The IUPAC name of 6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine (CID 24794753) is 6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine.
What is the SMILES notation for 6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine?
The canonical SMILES for 6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine is Nc1nc(N2CCOCC2)c2nc(-c3ccc4[nH]ccc4c3)cnc2n1.
What is the InChIKey of 6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine?
The InChIKey is DURVLPQMEQWDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c19-18-23-16-15(17(24-18)25-5-7-26-8-6-25)22-14(10-21-16)11-1-2-13-12(9-11)3-4-20-13/h1-4,9-10,20H,5-8H2,(H2,19,21,23,24).
What are the key properties of 6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine?
6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine has a molecular weight of 347.38 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine is sourced from PubChem (CID 24794753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).