4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)morpholine

C9H10BrN5O — CID 53298852

IUPAC4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)morpholine
SMILESBrc1[nH]nc2ncnc(N3CCOCC3)c12
InChIInChI=1S/C9H10BrN5O/c10-7-6-8(14-13-7)11-5-12-9(6)15-1-3-16-4-2-15/h5H,1-4H2,(H,11,12,13,14)
InChIKeyZEOMKCJNNVTAAC-UHFFFAOYSA-N
MW284.12 g/mol
LogP0.95
Rot. Bonds1

About 4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)morpholine

4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)morpholine (PubChem CID 53298852) has the molecular formula C9H10BrN5O and a molecular weight of 284.12 g/mol. Its IUPAC name is 4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)morpholine
PubChem CID53298852
Molecular FormulaC9H10BrN5O
Molecular Weight284.12 g/mol
Exact Mass283.01
IUPAC Name4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)morpholine
SMILESBrc1[nH]nc2ncnc(N3CCOCC3)c12
InChIInChI=1S/C9H10BrN5O/c10-7-6-8(14-13-7)11-5-12-9(6)15-1-3-16-4-2-15/h5H,1-4H2,(H,11,12,13,14)
InChIKeyZEOMKCJNNVTAAC-UHFFFAOYSA-N
XLogP0.95
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Bromo-1H-Pyrazolo(3,4-D)Pyrimidin-4-Amine
CID 340230
N-(3-morpholinopropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 30858850
4-(6-fluoro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 71004898
4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)morpholine
CID 23945652
3-bromo-4-pyrrolidin-1-yl-2H-pyrazolo[3,4-d]pyrimidine
CID 46253581
ethyl 4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 46256596
3-bromo-4-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-d]pyrimidine
CID 53013427
2-[4-(3-Bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 53603473
3-bromo-4-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine
CID 11509427
3-bromo-4-(4-butan-2-ylpiperazin-1-yl)-2H-pyrazolo[3,4-d]pyrimidine
CID 11566273
2-[4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 11596691
3-bromo-4-[4-(2-methoxyethyl)piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine
CID 11602561

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)morpholine (CID 53298852) is 4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)morpholine is Brc1[nH]nc2ncnc(N3CCOCC3)c12.
What is the InChIKey of 4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)morpholine?
The InChIKey is ZEOMKCJNNVTAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5O/c10-7-6-8(14-13-7)11-5-12-9(6)15-1-3-16-4-2-15/h5H,1-4H2,(H,11,12,13,14).
What are the key properties of 4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)morpholine?
4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)morpholine has a molecular weight of 284.12 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 53298852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).