4-morpholin-4-yl-6-(1H-pyrazol-5-yl)pteridin-2-amine

C13H14N8O — CID 68774640

IUPAC4-morpholin-4-yl-6-(1H-pyrazol-5-yl)pteridin-2-amine
SMILESNc1nc(N2CCOCC2)c2nc(-c3ccn[nH]3)cnc2n1
InChIInChI=1S/C13H14N8O/c14-13-18-11-10(12(19-13)21-3-5-22-6-4-21)17-9(7-15-11)8-1-2-16-20-8/h1-2,7H,3-6H2,(H,16,20)(H2,14,15,18,19)
InChIKeyNCXPEZXLWSOPOI-UHFFFAOYSA-N
MW298.31 g/mol
LogP0.23
Rot. Bonds2

About 4-morpholin-4-yl-6-(1H-pyrazol-5-yl)pteridin-2-amine

4-morpholin-4-yl-6-(1H-pyrazol-5-yl)pteridin-2-amine (PubChem CID 68774640) has the molecular formula C13H14N8O and a molecular weight of 298.31 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-(1H-pyrazol-5-yl)pteridin-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-6-(1H-pyrazol-5-yl)pteridin-2-amine
PubChem CID68774640
Molecular FormulaC13H14N8O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name4-morpholin-4-yl-6-(1H-pyrazol-5-yl)pteridin-2-amine
SMILESNc1nc(N2CCOCC2)c2nc(-c3ccn[nH]3)cnc2n1
InChIInChI=1S/C13H14N8O/c14-13-18-11-10(12(19-13)21-3-5-22-6-4-21)17-9(7-15-11)8-1-2-16-20-8/h1-2,7H,3-6H2,(H,16,20)(H2,14,15,18,19)
InChIKeyNCXPEZXLWSOPOI-UHFFFAOYSA-N
XLogP0.23
TPSA118.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-6-(1H-pyrazol-5-yl)pteridin-2-amine?
The IUPAC name of 4-morpholin-4-yl-6-(1H-pyrazol-5-yl)pteridin-2-amine (CID 68774640) is 4-morpholin-4-yl-6-(1H-pyrazol-5-yl)pteridin-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-6-(1H-pyrazol-5-yl)pteridin-2-amine?
The canonical SMILES for 4-morpholin-4-yl-6-(1H-pyrazol-5-yl)pteridin-2-amine is Nc1nc(N2CCOCC2)c2nc(-c3ccn[nH]3)cnc2n1.
What is the InChIKey of 4-morpholin-4-yl-6-(1H-pyrazol-5-yl)pteridin-2-amine?
The InChIKey is NCXPEZXLWSOPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N8O/c14-13-18-11-10(12(19-13)21-3-5-22-6-4-21)17-9(7-15-11)8-1-2-16-20-8/h1-2,7H,3-6H2,(H,16,20)(H2,14,15,18,19).
What are the key properties of 4-morpholin-4-yl-6-(1H-pyrazol-5-yl)pteridin-2-amine?
4-morpholin-4-yl-6-(1H-pyrazol-5-yl)pteridin-2-amine has a molecular weight of 298.31 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-6-(1H-pyrazol-5-yl)pteridin-2-amine is sourced from PubChem (CID 68774640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).