2-(3-bromothiophen-2-yl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C11H8BrClN2S — CID 115380805

IUPAC2-(3-bromothiophen-2-yl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESClc1nc(-c2sccc2Br)nc2c1CCC2
InChIInChI=1S/C11H8BrClN2S/c12-7-4-5-16-9(7)11-14-8-3-1-2-6(8)10(13)15-11/h4-5H,1-3H2
InChIKeyBAUWGYRFNCCPNU-UHFFFAOYSA-N
MW315.62 g/mol
LogP4.11
Rot. Bonds1

About 2-(3-bromothiophen-2-yl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2-(3-bromothiophen-2-yl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 115380805) has the molecular formula C11H8BrClN2S and a molecular weight of 315.62 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID115380805
Molecular FormulaC11H8BrClN2S
Molecular Weight315.62 g/mol
Exact Mass313.93
IUPAC Name2-(3-bromothiophen-2-yl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESClc1nc(-c2sccc2Br)nc2c1CCC2
InChIInChI=1S/C11H8BrClN2S/c12-7-4-5-16-9(7)11-14-8-3-1-2-6(8)10(13)15-11/h4-5H,1-3H2
InChIKeyBAUWGYRFNCCPNU-UHFFFAOYSA-N
XLogP4.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.62
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(3-bromothiophen-2-yl)-4-chloro-6-cyclopentylpyrimidine
CID 113390303
2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(2-fluorophenyl)pyrimidine
CID 115380847
2-(4-bromophenyl)-4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405639
2-(4-bromo-2-methylphenyl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 103083572
2-(3-methylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62202099
2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(3-fluorophenyl)pyrimidine
CID 115380846
2-(1-benzothiophen-3-yl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 62698471
4-chloro-2-(2,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 89343072
2-(3-bromothiophen-2-yl)-4-chloro-6-methylpyrimidine
CID 115380799
5-bromo-4-chloro-6-methyl-2-(3-methylthiophen-2-yl)pyrimidine
CID 66312815
2-(3-bromothiophen-2-yl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
CID 113298184
4-chloro-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazoline
CID 61382244

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 115380805) is 2-(3-bromothiophen-2-yl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Clc1nc(-c2sccc2Br)nc2c1CCC2.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is BAUWGYRFNCCPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2S/c12-7-4-5-16-9(7)11-14-8-3-1-2-6(8)10(13)15-11/h4-5H,1-3H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-(3-bromothiophen-2-yl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 315.62 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 115380805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).