1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C11H15N5O — CID 4970221

IUPAC1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCC3CCCO3)ncnc21
InChIInChI=1S/C11H15N5O/c1-16-11-9(6-15-16)10(13-7-14-11)12-5-8-3-2-4-17-8/h6-8H,2-5H2,1H3,(H,12,13,14)
InChIKeyYYQWOWNWDXAHMY-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.95
Rot. Bonds3

About 1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 4970221) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID4970221
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCC3CCCO3)ncnc21
InChIInChI=1S/C11H15N5O/c1-16-11-9(6-15-16)10(13-7-14-11)12-5-8-3-2-4-17-8/h6-8H,2-5H2,1H3,(H,12,13,14)
InChIKeyYYQWOWNWDXAHMY-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 4970221) is 1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NCC3CCCO3)ncnc21.
What is the InChIKey of 1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YYQWOWNWDXAHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-16-11-9(6-15-16)10(13-7-14-11)12-5-8-3-2-4-17-8/h6-8H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 233.27 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 4970221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).