7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidine

C11H14N4O2 — CID 69174766

IUPAC7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidine
SMILESCOc1ncnc2cn(C3CCCCO3)nc12
InChIInChI=1S/C11H14N4O2/c1-16-11-10-8(12-7-13-11)6-15(14-10)9-4-2-3-5-17-9/h6-7,9H,2-5H2,1H3
InChIKeyDHYFSBQBDPRXTE-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.53
Rot. Bonds2

About 7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidine

7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidine (PubChem CID 69174766) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidine
PubChem CID69174766
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidine
SMILESCOc1ncnc2cn(C3CCCCO3)nc12
InChIInChI=1S/C11H14N4O2/c1-16-11-10-8(12-7-13-11)6-15(14-10)9-4-2-3-5-17-9/h6-7,9H,2-5H2,1H3
InChIKeyDHYFSBQBDPRXTE-UHFFFAOYSA-N
XLogP1.53
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidine?
The IUPAC name of 7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidine (CID 69174766) is 7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidine is COc1ncnc2cn(C3CCCCO3)nc12.
What is the InChIKey of 7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidine?
The InChIKey is DHYFSBQBDPRXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-16-11-10-8(12-7-13-11)6-15(14-10)9-4-2-3-5-17-9/h6-7,9H,2-5H2,1H3.
What are the key properties of 7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidine?
7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidine has a molecular weight of 234.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 69174766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).