1-methyl-4-(pyrrolidin-2-ylmethoxy)pyrazolo[5,4-d]pyrimidine

C11H15N5O — CID 62347643

IUPAC1-methyl-4-(pyrrolidin-2-ylmethoxy)pyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(OCC3CCCN3)ncnc21
InChIInChI=1S/C11H15N5O/c1-16-10-9(5-15-16)11(14-7-13-10)17-6-8-3-2-4-12-8/h5,7-8,12H,2-4,6H2,1H3
InChIKeyLADBGZPHZGSARV-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.49
Rot. Bonds3

About 1-methyl-4-(pyrrolidin-2-ylmethoxy)pyrazolo[5,4-d]pyrimidine

1-methyl-4-(pyrrolidin-2-ylmethoxy)pyrazolo[5,4-d]pyrimidine (PubChem CID 62347643) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-methyl-4-(pyrrolidin-2-ylmethoxy)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-methyl-4-(pyrrolidin-2-ylmethoxy)pyrazolo[5,4-d]pyrimidine
PubChem CID62347643
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name1-methyl-4-(pyrrolidin-2-ylmethoxy)pyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(OCC3CCCN3)ncnc21
InChIInChI=1S/C11H15N5O/c1-16-10-9(5-15-16)11(14-7-13-10)17-6-8-3-2-4-12-8/h5,7-8,12H,2-4,6H2,1H3
InChIKeyLADBGZPHZGSARV-UHFFFAOYSA-N
XLogP0.49
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(pyrrolidin-2-ylmethoxy)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-methyl-4-(pyrrolidin-2-ylmethoxy)pyrazolo[5,4-d]pyrimidine (CID 62347643) is 1-methyl-4-(pyrrolidin-2-ylmethoxy)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-methyl-4-(pyrrolidin-2-ylmethoxy)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-methyl-4-(pyrrolidin-2-ylmethoxy)pyrazolo[5,4-d]pyrimidine is Cn1ncc2c(OCC3CCCN3)ncnc21.
What is the InChIKey of 1-methyl-4-(pyrrolidin-2-ylmethoxy)pyrazolo[5,4-d]pyrimidine?
The InChIKey is LADBGZPHZGSARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-16-10-9(5-15-16)11(14-7-13-10)17-6-8-3-2-4-12-8/h5,7-8,12H,2-4,6H2,1H3.
What are the key properties of 1-methyl-4-(pyrrolidin-2-ylmethoxy)pyrazolo[5,4-d]pyrimidine?
1-methyl-4-(pyrrolidin-2-ylmethoxy)pyrazolo[5,4-d]pyrimidine has a molecular weight of 233.27 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(pyrrolidin-2-ylmethoxy)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 62347643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).