4,6-dimethoxy-1H-pyrazolo[5,4-d]pyrimidine

C7H8N4O2 — CID 50999375

IUPAC4,6-dimethoxy-1H-pyrazolo[5,4-d]pyrimidine
SMILESCOc1nc(OC)c2cn[nH]c2n1
InChIInChI=1S/C7H8N4O2/c1-12-6-4-3-8-11-5(4)9-7(10-6)13-2/h3H,1-2H3,(H,8,9,10,11)
InChIKeyUTCPXICNROSCSK-UHFFFAOYSA-N
MW180.17 g/mol
LogP0.37
Rot. Bonds2

About 4,6-dimethoxy-1H-pyrazolo[5,4-d]pyrimidine

4,6-dimethoxy-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 50999375) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 4,6-dimethoxy-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID50999375
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name4,6-dimethoxy-1H-pyrazolo[5,4-d]pyrimidine
SMILESCOc1nc(OC)c2cn[nH]c2n1
InChIInChI=1S/C7H8N4O2/c1-12-6-4-3-8-11-5(4)9-7(10-6)13-2/h3H,1-2H3,(H,8,9,10,11)
InChIKeyUTCPXICNROSCSK-UHFFFAOYSA-N
XLogP0.37
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4,6-dimethoxy-1H-pyrazolo[5,4-d]pyrimidine (CID 50999375) is 4,6-dimethoxy-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4,6-dimethoxy-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4,6-dimethoxy-1H-pyrazolo[5,4-d]pyrimidine is COc1nc(OC)c2cn[nH]c2n1.
What is the InChIKey of 4,6-dimethoxy-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is UTCPXICNROSCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c1-12-6-4-3-8-11-5(4)9-7(10-6)13-2/h3H,1-2H3,(H,8,9,10,11).
What are the key properties of 4,6-dimethoxy-1H-pyrazolo[5,4-d]pyrimidine?
4,6-dimethoxy-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 180.17 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 50999375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).