2-(3-bromophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C13H11BrN2 — CID 82489137

IUPAC2-(3-bromophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESBrc1cccc(-c2ncc3c(n2)CCC3)c1
InChIInChI=1S/C13H11BrN2/c14-11-5-1-3-9(7-11)13-15-8-10-4-2-6-12(10)16-13/h1,3,5,7-8H,2,4,6H2
InChIKeyPZMRVSWDYWWKJR-UHFFFAOYSA-N
MW275.15 g/mol
LogP3.39
Rot. Bonds1

About 2-(3-bromophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2-(3-bromophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 82489137) has the molecular formula C13H11BrN2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 2-(3-bromophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-(3-bromophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID82489137
Molecular FormulaC13H11BrN2
Molecular Weight275.15 g/mol
Exact Mass274.01
IUPAC Name2-(3-bromophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESBrc1cccc(-c2ncc3c(n2)CCC3)c1
InChIInChI=1S/C13H11BrN2/c14-11-5-1-3-9(7-11)13-15-8-10-4-2-6-12(10)16-13/h1,3,5,7-8H,2,4,6H2
InChIKeyPZMRVSWDYWWKJR-UHFFFAOYSA-N
XLogP3.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62007896
2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 177049801
2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 157029881
2-(3-bromophenyl)pyrimidine
CID 26967381
8-(azetidin-1-yl)-2-(3-bromophenyl)pyrido[3,4-d]pyrimidine
CID 155340521
2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)phenoxy]ethanamine
CID 82482276
(3-bromophenyl)-[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 53147009
6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911361
4-[6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24911358
6-[3-(3-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 166448296
2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 115006286
2-[4-(5,6,7,8-tetrahydroquinazolin-2-yl)phenoxy]ethanamine
CID 82487974

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-(3-bromophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 82489137) is 2-(3-bromophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-(3-bromophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-(3-bromophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Brc1cccc(-c2ncc3c(n2)CCC3)c1.
What is the InChIKey of 2-(3-bromophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is PZMRVSWDYWWKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2/c14-11-5-1-3-9(7-11)13-15-8-10-4-2-6-12(10)16-13/h1,3,5,7-8H,2,4,6H2.
What are the key properties of 2-(3-bromophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-(3-bromophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 275.15 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 82489137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).