4-chloro-1-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine

C9H11ClN4 — CID 43154809

IUPAC4-chloro-1-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine
SMILESCC(C)Cn1ncc2c(Cl)ncnc21
InChIInChI=1S/C9H11ClN4/c1-6(2)4-14-9-7(3-13-14)8(10)11-5-12-9/h3,5-6H,4H2,1-2H3
InChIKeyMVEZGLVNWBQAJT-UHFFFAOYSA-N
MW210.67 g/mol
LogP2.14
Rot. Bonds2

About 4-chloro-1-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine

4-chloro-1-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 43154809) has the molecular formula C9H11ClN4 and a molecular weight of 210.67 g/mol. Its IUPAC name is 4-chloro-1-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-1-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine
PubChem CID43154809
Molecular FormulaC9H11ClN4
Molecular Weight210.67 g/mol
Exact Mass210.07
IUPAC Name4-chloro-1-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine
SMILESCC(C)Cn1ncc2c(Cl)ncnc21
InChIInChI=1S/C9H11ClN4/c1-6(2)4-14-9-7(3-13-14)8(10)11-5-12-9/h3,5-6H,4H2,1-2H3
InChIKeyMVEZGLVNWBQAJT-UHFFFAOYSA-N
XLogP2.14
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.67
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-chloro-1-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine (CID 43154809) is 4-chloro-1-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-1-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-chloro-1-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine is CC(C)Cn1ncc2c(Cl)ncnc21.
What is the InChIKey of 4-chloro-1-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is MVEZGLVNWBQAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4/c1-6(2)4-14-9-7(3-13-14)8(10)11-5-12-9/h3,5-6H,4H2,1-2H3.
What are the key properties of 4-chloro-1-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine?
4-chloro-1-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 210.67 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 43154809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).