3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenol

C16H17N5O2 — CID 25229608

IUPAC3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenol
SMILESCn1ncc2c(N3CCOCC3)nc(-c3cccc(O)c3)nc21
InChIInChI=1S/C16H17N5O2/c1-20-15-13(10-17-20)16(21-5-7-23-8-6-21)19-14(18-15)11-3-2-4-12(22)9-11/h2-4,9-10,22H,5-8H2,1H3
InChIKeyBJVRNXSHJLDZJR-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.57
Rot. Bonds2

About 3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenol

3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenol (PubChem CID 25229608) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenol.

Molecular Properties

Compound Name3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenol
PubChem CID25229608
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Name3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenol
SMILESCn1ncc2c(N3CCOCC3)nc(-c3cccc(O)c3)nc21
InChIInChI=1S/C16H17N5O2/c1-20-15-13(10-17-20)16(21-5-7-23-8-6-21)19-14(18-15)11-3-2-4-12(22)9-11/h2-4,9-10,22H,5-8H2,1H3
InChIKeyBJVRNXSHJLDZJR-UHFFFAOYSA-N
XLogP1.57
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenol?
The IUPAC name of 3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenol (CID 25229608) is 3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenol.
What is the SMILES notation for 3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenol?
The canonical SMILES for 3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenol is Cn1ncc2c(N3CCOCC3)nc(-c3cccc(O)c3)nc21.
What is the InChIKey of 3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenol?
The InChIKey is BJVRNXSHJLDZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-20-15-13(10-17-20)16(21-5-7-23-8-6-21)19-14(18-15)11-3-2-4-12(22)9-11/h2-4,9-10,22H,5-8H2,1H3.
What are the key properties of 3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenol?
3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenol has a molecular weight of 311.34 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenol is sourced from PubChem (CID 25229608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).