1-tert-butyl-4-chloropyrazolo[5,4-d]pyrimidine

C9H11ClN4 — CID 43154807

IUPAC1-tert-butyl-4-chloropyrazolo[5,4-d]pyrimidine
SMILESCC(C)(C)n1ncc2c(Cl)ncnc21
InChIInChI=1S/C9H11ClN4/c1-9(2,3)14-8-6(4-13-14)7(10)11-5-12-8/h4-5H,1-3H3
InChIKeyBVJFFNHUTCJYSS-UHFFFAOYSA-N
MW210.67 g/mol
LogP2.23
Rot. Bonds

About 1-tert-butyl-4-chloropyrazolo[5,4-d]pyrimidine

1-tert-butyl-4-chloropyrazolo[5,4-d]pyrimidine (PubChem CID 43154807) has the molecular formula C9H11ClN4 and a molecular weight of 210.67 g/mol. Its IUPAC name is 1-tert-butyl-4-chloropyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-tert-butyl-4-chloropyrazolo[5,4-d]pyrimidine
PubChem CID43154807
Molecular FormulaC9H11ClN4
Molecular Weight210.67 g/mol
Exact Mass210.07
IUPAC Name1-tert-butyl-4-chloropyrazolo[5,4-d]pyrimidine
SMILESCC(C)(C)n1ncc2c(Cl)ncnc21
InChIInChI=1S/C9H11ClN4/c1-9(2,3)14-8-6(4-13-14)7(10)11-5-12-8/h4-5H,1-3H3
InChIKeyBVJFFNHUTCJYSS-UHFFFAOYSA-N
XLogP2.23
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.67
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-chloropyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-tert-butyl-4-chloropyrazolo[5,4-d]pyrimidine (CID 43154807) is 1-tert-butyl-4-chloropyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-tert-butyl-4-chloropyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-tert-butyl-4-chloropyrazolo[5,4-d]pyrimidine is CC(C)(C)n1ncc2c(Cl)ncnc21.
What is the InChIKey of 1-tert-butyl-4-chloropyrazolo[5,4-d]pyrimidine?
The InChIKey is BVJFFNHUTCJYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4/c1-9(2,3)14-8-6(4-13-14)7(10)11-5-12-8/h4-5H,1-3H3.
What are the key properties of 1-tert-butyl-4-chloropyrazolo[5,4-d]pyrimidine?
1-tert-butyl-4-chloropyrazolo[5,4-d]pyrimidine has a molecular weight of 210.67 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-chloropyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 43154807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).