1-tert-butyl-6-chloro-4-methoxypyrazolo[5,4-d]pyrimidine

C10H13ClN4O — CID 122164253

IUPAC1-tert-butyl-6-chloro-4-methoxypyrazolo[5,4-d]pyrimidine
SMILESCOc1nc(Cl)nc2c1cnn2C(C)(C)C
InChIInChI=1S/C10H13ClN4O/c1-10(2,3)15-7-6(5-12-15)8(16-4)14-9(11)13-7/h5H,1-4H3
InChIKeyREHKFMRUFSAGIH-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.24
Rot. Bonds1

About 1-tert-butyl-6-chloro-4-methoxypyrazolo[5,4-d]pyrimidine

1-tert-butyl-6-chloro-4-methoxypyrazolo[5,4-d]pyrimidine (PubChem CID 122164253) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 1-tert-butyl-6-chloro-4-methoxypyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-tert-butyl-6-chloro-4-methoxypyrazolo[5,4-d]pyrimidine
PubChem CID122164253
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name1-tert-butyl-6-chloro-4-methoxypyrazolo[5,4-d]pyrimidine
SMILESCOc1nc(Cl)nc2c1cnn2C(C)(C)C
InChIInChI=1S/C10H13ClN4O/c1-10(2,3)15-7-6(5-12-15)8(16-4)14-9(11)13-7/h5H,1-4H3
InChIKeyREHKFMRUFSAGIH-UHFFFAOYSA-N
XLogP2.24
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-chloro-4-methoxypyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-tert-butyl-6-chloro-4-methoxypyrazolo[5,4-d]pyrimidine (CID 122164253) is 1-tert-butyl-6-chloro-4-methoxypyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-tert-butyl-6-chloro-4-methoxypyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-tert-butyl-6-chloro-4-methoxypyrazolo[5,4-d]pyrimidine is COc1nc(Cl)nc2c1cnn2C(C)(C)C.
What is the InChIKey of 1-tert-butyl-6-chloro-4-methoxypyrazolo[5,4-d]pyrimidine?
The InChIKey is REHKFMRUFSAGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-10(2,3)15-7-6(5-12-15)8(16-4)14-9(11)13-7/h5H,1-4H3.
What are the key properties of 1-tert-butyl-6-chloro-4-methoxypyrazolo[5,4-d]pyrimidine?
1-tert-butyl-6-chloro-4-methoxypyrazolo[5,4-d]pyrimidine has a molecular weight of 240.69 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-chloro-4-methoxypyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 122164253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).