3-chloro-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine

C10H11ClN4O — CID 141132128

IUPAC3-chloro-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine
SMILESClc1nn(C2CCCCO2)c2ncncc12
InChIInChI=1S/C10H11ClN4O/c11-9-7-5-12-6-13-10(7)15(14-9)8-3-1-2-4-16-8/h5-6,8H,1-4H2
InChIKeyIEMUKUSIPQNAMQ-UHFFFAOYSA-N
MW238.68 g/mol
LogP2.18
Rot. Bonds1

About 3-chloro-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine

3-chloro-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine (PubChem CID 141132128) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 3-chloro-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name3-chloro-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine
PubChem CID141132128
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name3-chloro-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine
SMILESClc1nn(C2CCCCO2)c2ncncc12
InChIInChI=1S/C10H11ClN4O/c11-9-7-5-12-6-13-10(7)15(14-9)8-3-1-2-4-16-8/h5-6,8H,1-4H2
InChIKeyIEMUKUSIPQNAMQ-UHFFFAOYSA-N
XLogP2.18
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 3-chloro-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine (CID 141132128) is 3-chloro-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 3-chloro-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 3-chloro-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine is Clc1nn(C2CCCCO2)c2ncncc12.
What is the InChIKey of 3-chloro-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine?
The InChIKey is IEMUKUSIPQNAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c11-9-7-5-12-6-13-10(7)15(14-9)8-3-1-2-4-16-8/h5-6,8H,1-4H2.
What are the key properties of 3-chloro-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine?
3-chloro-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine has a molecular weight of 238.68 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 141132128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).