3-bromo-1-butyl-4-methoxypyrazolo[5,4-d]pyrimidine

C10H13BrN4O — CID 162353030

IUPAC3-bromo-1-butyl-4-methoxypyrazolo[5,4-d]pyrimidine
SMILESCCCCn1nc(Br)c2c(OC)ncnc21
InChIInChI=1S/C10H13BrN4O/c1-3-4-5-15-9-7(8(11)14-15)10(16-2)13-6-12-9/h6H,3-5H2,1-2H3
InChIKeyZTPHXNRAQFEXIW-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.40
Rot. Bonds4

About 3-bromo-1-butyl-4-methoxypyrazolo[5,4-d]pyrimidine

3-bromo-1-butyl-4-methoxypyrazolo[5,4-d]pyrimidine (PubChem CID 162353030) has the molecular formula C10H13BrN4O and a molecular weight of 285.14 g/mol. Its IUPAC name is 3-bromo-1-butyl-4-methoxypyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name3-bromo-1-butyl-4-methoxypyrazolo[5,4-d]pyrimidine
PubChem CID162353030
Molecular FormulaC10H13BrN4O
Molecular Weight285.14 g/mol
Exact Mass284.03
IUPAC Name3-bromo-1-butyl-4-methoxypyrazolo[5,4-d]pyrimidine
SMILESCCCCn1nc(Br)c2c(OC)ncnc21
InChIInChI=1S/C10H13BrN4O/c1-3-4-5-15-9-7(8(11)14-15)10(16-2)13-6-12-9/h6H,3-5H2,1-2H3
InChIKeyZTPHXNRAQFEXIW-UHFFFAOYSA-N
XLogP2.40
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-1-methyl-1H-pyrazolo[3,4-D]pyrimidine
CID 219763
4-methoxy-2-methyl-2H-pyrazolo[3,4-d]pyrimidine
CID 21587659
4-Methoxy-1-pent-4-ynylpyrazolo[5,4-d]pyrimidin-6-amine
CID 132389519
1-(2,2-Difluoroethyl)-4-methoxy-6-propan-2-ylpyrazolo[5,4-d]pyrimidine
CID 168209614
1-(2,2-Difluoroethyl)-4-methoxy-6-methylpyrazolo[5,4-d]pyrimidine
CID 168210032
1-Ethyl-4-ethoxypyrazolo[3,4-d]pyrimidine
CID 14188902
3-Bromo-1-methyl-4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[3,4-d]pyrimidine
CID 154706684
3-Bromo-4-methoxy-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 641964
4-Methoxy-1-propan-2-ylpyrazolo[5,4-d]pyrimidine
CID 227094
3-bromo-4-methoxy-1H-pyrazolo[3,4-d]pyrimidine
CID 15867862
3-bromo-4-methoxy-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-pyrazolo[3,4-d]pyrimidine
CID 58395848
1-tert-butyl-3-methoxy-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine
CID 59633537

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-butyl-4-methoxypyrazolo[5,4-d]pyrimidine?
The IUPAC name of 3-bromo-1-butyl-4-methoxypyrazolo[5,4-d]pyrimidine (CID 162353030) is 3-bromo-1-butyl-4-methoxypyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 3-bromo-1-butyl-4-methoxypyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 3-bromo-1-butyl-4-methoxypyrazolo[5,4-d]pyrimidine is CCCCn1nc(Br)c2c(OC)ncnc21.
What is the InChIKey of 3-bromo-1-butyl-4-methoxypyrazolo[5,4-d]pyrimidine?
The InChIKey is ZTPHXNRAQFEXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O/c1-3-4-5-15-9-7(8(11)14-15)10(16-2)13-6-12-9/h6H,3-5H2,1-2H3.
What are the key properties of 3-bromo-1-butyl-4-methoxypyrazolo[5,4-d]pyrimidine?
3-bromo-1-butyl-4-methoxypyrazolo[5,4-d]pyrimidine has a molecular weight of 285.14 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-butyl-4-methoxypyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 162353030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).