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

C9H5BrN4S — CID 131207505

IUPAC4-(3-bromopyrazol-1-yl)thieno[2,3-d]pyrimidine
SMILESBrc1ccn(-c2ncnc3sccc23)n1
InChIInChI=1S/C9H5BrN4S/c10-7-1-3-14(13-7)8-6-2-4-15-9(6)12-5-11-8/h1-5H
InChIKeyUBQUWLLTUZARSH-UHFFFAOYSA-N
MW281.14 g/mol
LogP2.64
Rot. Bonds1

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

4-(3-bromopyrazol-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 131207505) has the molecular formula C9H5BrN4S and a molecular weight of 281.14 g/mol. Its IUPAC name is 4-(3-bromopyrazol-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3-bromopyrazol-1-yl)thieno[2,3-d]pyrimidine
PubChem CID131207505
Molecular FormulaC9H5BrN4S
Molecular Weight281.14 g/mol
Exact Mass279.94
IUPAC Name4-(3-bromopyrazol-1-yl)thieno[2,3-d]pyrimidine
SMILESBrc1ccn(-c2ncnc3sccc23)n1
InChIInChI=1S/C9H5BrN4S/c10-7-1-3-14(13-7)8-6-2-4-15-9(6)12-5-11-8/h1-5H
InChIKeyUBQUWLLTUZARSH-UHFFFAOYSA-N
XLogP2.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-bromo-2,3-dihydro-1,4-thiazin-4-yl)thieno[2,3-d]pyrimidine
CID 178113205
bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437
4-(benzimidazol-1-yl)thieno[2,3-d]pyrimidine
CID 17417188
4-thieno[2,3-d]pyrimidin-4-ylmorpholine
CID 2457329
4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)thieno[2,3-d]pyrimidine
CID 157019262
1-thieno[2,3-d]pyrimidin-4-ylimidazole-4,5-dicarbonitrile
CID 112595760
4-(4-pyrrol-1-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 56822117
4-[3-(bromomethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 80679387
4-[3-(trifluoromethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine
CID 171994938
(3R)-3,4,4-trimethyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol
CID 97132639
4-[2-(bromomethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 80676014
1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
CID 18074911

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromopyrazol-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(3-bromopyrazol-1-yl)thieno[2,3-d]pyrimidine (CID 131207505) is 4-(3-bromopyrazol-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(3-bromopyrazol-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(3-bromopyrazol-1-yl)thieno[2,3-d]pyrimidine is Brc1ccn(-c2ncnc3sccc23)n1.
What is the InChIKey of 4-(3-bromopyrazol-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is UBQUWLLTUZARSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN4S/c10-7-1-3-14(13-7)8-6-2-4-15-9(6)12-5-11-8/h1-5H.
What are the key properties of 4-(3-bromopyrazol-1-yl)thieno[2,3-d]pyrimidine?
4-(3-bromopyrazol-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 281.14 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromopyrazol-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 131207505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).