4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]thieno[3,2-d]pyrimidine

C13H12BrN5S — CID 126946921

IUPAC4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]thieno[3,2-d]pyrimidine
SMILESBrc1cnn(C2CCN(c3ncnc4ccsc34)C2)c1
InChIInChI=1S/C13H12BrN5S/c14-9-5-17-19(6-9)10-1-3-18(7-10)13-12-11(2-4-20-12)15-8-16-13/h2,4-6,8,10H,1,3,7H2
InChIKeyRBAHNQCNASRPFN-UHFFFAOYSA-N
MW350.25 g/mol
LogP3.10
Rot. Bonds2

About 4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]thieno[3,2-d]pyrimidine

4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]thieno[3,2-d]pyrimidine (PubChem CID 126946921) has the molecular formula C13H12BrN5S and a molecular weight of 350.25 g/mol. Its IUPAC name is 4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]thieno[3,2-d]pyrimidine
PubChem CID126946921
Molecular FormulaC13H12BrN5S
Molecular Weight350.25 g/mol
Exact Mass349.00
IUPAC Name4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]thieno[3,2-d]pyrimidine
SMILESBrc1cnn(C2CCN(c3ncnc4ccsc34)C2)c1
InChIInChI=1S/C13H12BrN5S/c14-9-5-17-19(6-9)10-1-3-18(7-10)13-12-11(2-4-20-12)15-8-16-13/h2,4-6,8,10H,1,3,7H2
InChIKeyRBAHNQCNASRPFN-UHFFFAOYSA-N
XLogP3.10
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1,3-thiazole
CID 126946853
4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]thieno[3,2-d]pyrimidine
CID 35783787
4-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]thieno[3,2-d]pyrimidine
CID 35783789
1-[1-(1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945353
4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 126947072
4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 126947061
4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine
CID 86773022
2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-methylpyrimidine
CID 126947069
pyrrolidin-1-yl-[(3R)-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone
CID 95558166
4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]pyrido[3,4-d]pyrimidine
CID 126945134
1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-amine;dihydrochloride
CID 146077996
1-[(6R)-6-hydroxy-4-thieno[3,2-d]pyrimidin-4-yl-1,4-diazepan-1-yl]ethanone
CID 97129327

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]thieno[3,2-d]pyrimidine (CID 126946921) is 4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]thieno[3,2-d]pyrimidine is Brc1cnn(C2CCN(c3ncnc4ccsc34)C2)c1.
What is the InChIKey of 4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]thieno[3,2-d]pyrimidine?
The InChIKey is RBAHNQCNASRPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN5S/c14-9-5-17-19(6-9)10-1-3-18(7-10)13-12-11(2-4-20-12)15-8-16-13/h2,4-6,8,10H,1,3,7H2.
What are the key properties of 4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]thieno[3,2-d]pyrimidine?
4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]thieno[3,2-d]pyrimidine has a molecular weight of 350.25 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 126946921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).