5-morpholin-4-yl-2-pteridin-2-ylbenzene-1,3-diamine

C16H17N7O — CID 69051810

IUPAC5-morpholin-4-yl-2-pteridin-2-ylbenzene-1,3-diamine
SMILESNc1cc(N2CCOCC2)cc(N)c1-c1ncc2nccnc2n1
InChIInChI=1S/C16H17N7O/c17-11-7-10(23-3-5-24-6-4-23)8-12(18)14(11)16-21-9-13-15(22-16)20-2-1-19-13/h1-2,7-9H,3-6,17-18H2
InChIKeyJMWGRGPLUMCYIL-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.09
Rot. Bonds2

About 5-morpholin-4-yl-2-pteridin-2-ylbenzene-1,3-diamine

5-morpholin-4-yl-2-pteridin-2-ylbenzene-1,3-diamine (PubChem CID 69051810) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is 5-morpholin-4-yl-2-pteridin-2-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-morpholin-4-yl-2-pteridin-2-ylbenzene-1,3-diamine
PubChem CID69051810
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name5-morpholin-4-yl-2-pteridin-2-ylbenzene-1,3-diamine
SMILESNc1cc(N2CCOCC2)cc(N)c1-c1ncc2nccnc2n1
InChIInChI=1S/C16H17N7O/c17-11-7-10(23-3-5-24-6-4-23)8-12(18)14(11)16-21-9-13-15(22-16)20-2-1-19-13/h1-2,7-9H,3-6,17-18H2
InChIKeyJMWGRGPLUMCYIL-UHFFFAOYSA-N
XLogP1.09
TPSA116.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-morpholin-4-ylpyridin-3-amine
CID 59631039
6-morpholin-4-ylpyrimidine-2,4,5-triamine;pteridine;dihydrochloride
CID 161348569
4-(2,6-dichloro-4-pyridinyl)morpholine;2,4,6-trichloropyridine
CID 159726941
4-(1-sulfanylpyrrolo[2,3-b]pyridin-5-yl)morpholine
CID 170020349
5-morpholin-4-ylpyridin-3-amine;dihydrochloride
CID 67312945
2-piperidin-1-ylpteridine
CID 140624386
2-morpholin-4-ylpyridine-3,5-diamine
CID 21082858
4-[4-(1,6-naphthyridin-7-yl)phenyl]morpholine
CID 91552475
4-pyrido[3,2-d]pyrimidin-2-ylmorpholine
CID 67130702
6-morpholin-4-ylquinolin-2-amine
CID 25139674
1-(7-morpholin-4-ylquinoxalin-5-yl)cyclohexane-1,4-diamine
CID 90411356
4-N-methyl-2-morpholin-4-ylpyrimidine-4,5-diamine
CID 56647244

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-2-pteridin-2-ylbenzene-1,3-diamine?
The IUPAC name of 5-morpholin-4-yl-2-pteridin-2-ylbenzene-1,3-diamine (CID 69051810) is 5-morpholin-4-yl-2-pteridin-2-ylbenzene-1,3-diamine.
What is the SMILES notation for 5-morpholin-4-yl-2-pteridin-2-ylbenzene-1,3-diamine?
The canonical SMILES for 5-morpholin-4-yl-2-pteridin-2-ylbenzene-1,3-diamine is Nc1cc(N2CCOCC2)cc(N)c1-c1ncc2nccnc2n1.
What is the InChIKey of 5-morpholin-4-yl-2-pteridin-2-ylbenzene-1,3-diamine?
The InChIKey is JMWGRGPLUMCYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O/c17-11-7-10(23-3-5-24-6-4-23)8-12(18)14(11)16-21-9-13-15(22-16)20-2-1-19-13/h1-2,7-9H,3-6,17-18H2.
What are the key properties of 5-morpholin-4-yl-2-pteridin-2-ylbenzene-1,3-diamine?
5-morpholin-4-yl-2-pteridin-2-ylbenzene-1,3-diamine has a molecular weight of 323.36 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-2-pteridin-2-ylbenzene-1,3-diamine is sourced from PubChem (CID 69051810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).