6-(1,3-benzodioxol-5-yl)-4-morpholin-4-ylpteridin-2-amine

C17H16N6O3 — CID 11175594

IUPAC6-(1,3-benzodioxol-5-yl)-4-morpholin-4-ylpteridin-2-amine
SMILESNc1nc(N2CCOCC2)c2nc(-c3ccc4c(c3)OCO4)cnc2n1
InChIInChI=1S/C17H16N6O3/c18-17-21-15-14(16(22-17)23-3-5-24-6-4-23)20-11(8-19-15)10-1-2-12-13(7-10)26-9-25-12/h1-2,7-8H,3-6,9H2,(H2,18,19,21,22)
InChIKeyGEGZTWCRDXHBJW-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.23
Rot. Bonds2

About 6-(1,3-benzodioxol-5-yl)-4-morpholin-4-ylpteridin-2-amine

6-(1,3-benzodioxol-5-yl)-4-morpholin-4-ylpteridin-2-amine (PubChem CID 11175594) has the molecular formula C17H16N6O3 and a molecular weight of 352.35 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-4-morpholin-4-ylpteridin-2-amine.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-4-morpholin-4-ylpteridin-2-amine
PubChem CID11175594
Molecular FormulaC17H16N6O3
Molecular Weight352.35 g/mol
Exact Mass352.13
IUPAC Name6-(1,3-benzodioxol-5-yl)-4-morpholin-4-ylpteridin-2-amine
SMILESNc1nc(N2CCOCC2)c2nc(-c3ccc4c(c3)OCO4)cnc2n1
InChIInChI=1S/C17H16N6O3/c18-17-21-15-14(16(22-17)23-3-5-24-6-4-23)20-11(8-19-15)10-1-2-12-13(7-10)26-9-25-12/h1-2,7-8H,3-6,9H2,(H2,18,19,21,22)
InChIKeyGEGZTWCRDXHBJW-UHFFFAOYSA-N
XLogP1.23
TPSA108.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine
CID 24794753
[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-morpholin-4-ylmethanone
CID 68775123
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
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-(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
6-(2,6-dimethoxy-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine
CID 68776672
4-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pteridin-2-amine
CID 68778385

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)-4-morpholin-4-ylpteridin-2-amine?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-4-morpholin-4-ylpteridin-2-amine (CID 11175594) is 6-(1,3-benzodioxol-5-yl)-4-morpholin-4-ylpteridin-2-amine.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-4-morpholin-4-ylpteridin-2-amine?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-4-morpholin-4-ylpteridin-2-amine is Nc1nc(N2CCOCC2)c2nc(-c3ccc4c(c3)OCO4)cnc2n1.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-4-morpholin-4-ylpteridin-2-amine?
The InChIKey is GEGZTWCRDXHBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3/c18-17-21-15-14(16(22-17)23-3-5-24-6-4-23)20-11(8-19-15)10-1-2-12-13(7-10)26-9-25-12/h1-2,7-8H,3-6,9H2,(H2,18,19,21,22).
What are the key properties of 6-(1,3-benzodioxol-5-yl)-4-morpholin-4-ylpteridin-2-amine?
6-(1,3-benzodioxol-5-yl)-4-morpholin-4-ylpteridin-2-amine has a molecular weight of 352.35 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-4-morpholin-4-ylpteridin-2-amine is sourced from PubChem (CID 11175594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).