4-[2-(3-hydroxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholin-3-one

C16H14N4O3 — CID 42633907

IUPAC4-[2-(3-hydroxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholin-3-one
SMILESO=C1COCCN1c1nc(-c2cccc(O)c2)nc2cc[nH]c12
InChIInChI=1S/C16H14N4O3/c21-11-3-1-2-10(8-11)15-18-12-4-5-17-14(12)16(19-15)20-6-7-23-9-13(20)22/h1-5,8,17,21H,6-7,9H2
InChIKeyWLQUDOWWYWUSSI-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.69
Rot. Bonds2

About 4-[2-(3-hydroxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholin-3-one

4-[2-(3-hydroxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholin-3-one (PubChem CID 42633907) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 4-[2-(3-hydroxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholin-3-one.

Molecular Properties

Compound Name4-[2-(3-hydroxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholin-3-one
PubChem CID42633907
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name4-[2-(3-hydroxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholin-3-one
SMILESO=C1COCCN1c1nc(-c2cccc(O)c2)nc2cc[nH]c12
InChIInChI=1S/C16H14N4O3/c21-11-3-1-2-10(8-11)15-18-12-4-5-17-14(12)16(19-15)20-6-7-23-9-13(20)22/h1-5,8,17,21H,6-7,9H2
InChIKeyWLQUDOWWYWUSSI-UHFFFAOYSA-N
XLogP1.69
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-hydroxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholin-3-one?
The IUPAC name of 4-[2-(3-hydroxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholin-3-one (CID 42633907) is 4-[2-(3-hydroxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholin-3-one.
What is the SMILES notation for 4-[2-(3-hydroxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholin-3-one?
The canonical SMILES for 4-[2-(3-hydroxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholin-3-one is O=C1COCCN1c1nc(-c2cccc(O)c2)nc2cc[nH]c12.
What is the InChIKey of 4-[2-(3-hydroxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholin-3-one?
The InChIKey is WLQUDOWWYWUSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c21-11-3-1-2-10(8-11)15-18-12-4-5-17-14(12)16(19-15)20-6-7-23-9-13(20)22/h1-5,8,17,21H,6-7,9H2.
What are the key properties of 4-[2-(3-hydroxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholin-3-one?
4-[2-(3-hydroxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholin-3-one has a molecular weight of 310.31 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-hydroxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholin-3-one is sourced from PubChem (CID 42633907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).