5-[2-hydroxy-3-(3-methylphenoxy)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

C16H18N4O3 — CID 110884840

IUPAC5-[2-hydroxy-3-(3-methylphenoxy)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cccc(OCC(O)Cn2cnc3c(cnn3C)c2=O)c1
InChIInChI=1S/C16H18N4O3/c1-11-4-3-5-13(6-11)23-9-12(21)8-20-10-17-15-14(16(20)22)7-18-19(15)2/h3-7,10,12,21H,8-9H2,1-2H3
InChIKeyUSVNWZJELFFPEJ-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.88
Rot. Bonds5

About 5-[2-hydroxy-3-(3-methylphenoxy)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

5-[2-hydroxy-3-(3-methylphenoxy)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 110884840) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 5-[2-hydroxy-3-(3-methylphenoxy)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[2-hydroxy-3-(3-methylphenoxy)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID110884840
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name5-[2-hydroxy-3-(3-methylphenoxy)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cccc(OCC(O)Cn2cnc3c(cnn3C)c2=O)c1
InChIInChI=1S/C16H18N4O3/c1-11-4-3-5-13(6-11)23-9-12(21)8-20-10-17-15-14(16(20)22)7-18-19(15)2/h3-7,10,12,21H,8-9H2,1-2H3
InChIKeyUSVNWZJELFFPEJ-UHFFFAOYSA-N
XLogP0.88
TPSA82.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxy-3-(3-methylphenoxy)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[2-hydroxy-3-(3-methylphenoxy)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 110884840) is 5-[2-hydroxy-3-(3-methylphenoxy)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[2-hydroxy-3-(3-methylphenoxy)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[2-hydroxy-3-(3-methylphenoxy)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is Cc1cccc(OCC(O)Cn2cnc3c(cnn3C)c2=O)c1.
What is the InChIKey of 5-[2-hydroxy-3-(3-methylphenoxy)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is USVNWZJELFFPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-11-4-3-5-13(6-11)23-9-12(21)8-20-10-17-15-14(16(20)22)7-18-19(15)2/h3-7,10,12,21H,8-9H2,1-2H3.
What are the key properties of 5-[2-hydroxy-3-(3-methylphenoxy)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
5-[2-hydroxy-3-(3-methylphenoxy)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 314.35 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxy-3-(3-methylphenoxy)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 110884840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).