6-methoxy-5-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-one

C10H14N4O2 — CID 154369833

IUPAC6-methoxy-5-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-one
SMILESCOc1nc2nn(C(C)C)cc2c(=O)n1C
InChIInChI=1S/C10H14N4O2/c1-6(2)14-5-7-8(12-14)11-10(16-4)13(3)9(7)15/h5-6H,1-4H3
InChIKeyCPPHSNNIENYUGO-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.72
Rot. Bonds2

About 6-methoxy-5-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-one

6-methoxy-5-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 154369833) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 6-methoxy-5-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methoxy-5-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-one
PubChem CID154369833
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name6-methoxy-5-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-one
SMILESCOc1nc2nn(C(C)C)cc2c(=O)n1C
InChIInChI=1S/C10H14N4O2/c1-6(2)14-5-7-8(12-14)11-10(16-4)13(3)9(7)15/h5-6H,1-4H3
InChIKeyCPPHSNNIENYUGO-UHFFFAOYSA-N
XLogP0.72
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-methoxy-5-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-one (CID 154369833) is 6-methoxy-5-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-methoxy-5-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-methoxy-5-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-one is COc1nc2nn(C(C)C)cc2c(=O)n1C.
What is the InChIKey of 6-methoxy-5-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is CPPHSNNIENYUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-6(2)14-5-7-8(12-14)11-10(16-4)13(3)9(7)15/h5-6H,1-4H3.
What are the key properties of 6-methoxy-5-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-one?
6-methoxy-5-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 222.25 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 154369833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).