6-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine

C16H17N7O2 — CID 68776110

IUPAC6-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine
SMILESCOc1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cn1
InChIInChI=1S/C16H17N7O2/c1-24-12-3-2-10(8-18-12)11-9-19-14-13(20-11)15(22-16(17)21-14)23-4-6-25-7-5-23/h2-3,8-9H,4-7H2,1H3,(H2,17,19,21,22)
InChIKeyJNYPXMXHIINKJA-UHFFFAOYSA-N
MW339.36 g/mol
LogP0.91
Rot. Bonds3

About 6-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine

6-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine (PubChem CID 68776110) has the molecular formula C16H17N7O2 and a molecular weight of 339.36 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine.

Molecular Properties

Compound Name6-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine
PubChem CID68776110
Molecular FormulaC16H17N7O2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC Name6-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine
SMILESCOc1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cn1
InChIInChI=1S/C16H17N7O2/c1-24-12-3-2-10(8-18-12)11-9-19-14-13(20-11)15(22-16(17)21-14)23-4-6-25-7-5-23/h2-3,8-9H,4-7H2,1H3,(H2,17,19,21,22)
InChIKeyJNYPXMXHIINKJA-UHFFFAOYSA-N
XLogP0.91
TPSA112.17 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine?
The IUPAC name of 6-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine (CID 68776110) is 6-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine.
What is the SMILES notation for 6-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine?
The canonical SMILES for 6-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine is COc1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cn1.
What is the InChIKey of 6-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine?
The InChIKey is JNYPXMXHIINKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2/c1-24-12-3-2-10(8-18-12)11-9-19-14-13(20-11)15(22-16(17)21-14)23-4-6-25-7-5-23/h2-3,8-9H,4-7H2,1H3,(H2,17,19,21,22).
What are the key properties of 6-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine?
6-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine has a molecular weight of 339.36 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine is sourced from PubChem (CID 68776110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).