4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine

C13H12BrN7 — CID 138019722

IUPAC4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESBrc1cnc(C2CCCN2c2ncnc3[nH]ncc23)nc1
InChIInChI=1S/C13H12BrN7/c14-8-4-15-12(16-5-8)10-2-1-3-21(10)13-9-6-19-20-11(9)17-7-18-13/h4-7,10H,1-3H2,(H,17,18,19,20)
InChIKeyOZJYXGCMCULAMN-UHFFFAOYSA-N
MW346.19 g/mol
LogP2.25
Rot. Bonds2

About 4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine

4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 138019722) has the molecular formula C13H12BrN7 and a molecular weight of 346.19 g/mol. Its IUPAC name is 4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID138019722
Molecular FormulaC13H12BrN7
Molecular Weight346.19 g/mol
Exact Mass345.03
IUPAC Name4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESBrc1cnc(C2CCCN2c2ncnc3[nH]ncc23)nc1
InChIInChI=1S/C13H12BrN7/c14-8-4-15-12(16-5-8)10-2-1-3-21(10)13-9-6-19-20-11(9)17-7-18-13/h4-7,10H,1-3H2,(H,17,18,19,20)
InChIKeyOZJYXGCMCULAMN-UHFFFAOYSA-N
XLogP2.25
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 84818658
4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 178104944
4-[2-(3-methylbutyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 133376968
4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 131087765
N,1-dimethyl-5-[(2S)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-2-yl]pyrrole-2-carboxamide
CID 129336048
4-(2-azabicyclo[2.2.1]heptan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 133269772
4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-6-ethylpyrimidine
CID 138019714
4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 71862723
2,3-dimethyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)thiomorpholine
CID 133309259
4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 155799152
4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 138511220
1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 84818655

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine (CID 138019722) is 4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine is Brc1cnc(C2CCCN2c2ncnc3[nH]ncc23)nc1.
What is the InChIKey of 4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is OZJYXGCMCULAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN7/c14-8-4-15-12(16-5-8)10-2-1-3-21(10)13-9-6-19-20-11(9)17-7-18-13/h4-7,10H,1-3H2,(H,17,18,19,20).
What are the key properties of 4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 346.19 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 138019722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).