2-(4-bromo-2-methylphenyl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C14H12BrClN2 — CID 103083572

IUPAC2-(4-bromo-2-methylphenyl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1cc(Br)ccc1-c1nc(Cl)c2c(n1)CCC2
InChIInChI=1S/C14H12BrClN2/c1-8-7-9(15)5-6-10(8)14-17-12-4-2-3-11(12)13(16)18-14/h5-7H,2-4H2,1H3
InChIKeyRUSOFRWHKLKFEJ-UHFFFAOYSA-N
MW323.62 g/mol
LogP4.36
Rot. Bonds1

About 2-(4-bromo-2-methylphenyl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2-(4-bromo-2-methylphenyl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 103083572) has the molecular formula C14H12BrClN2 and a molecular weight of 323.62 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID103083572
Molecular FormulaC14H12BrClN2
Molecular Weight323.62 g/mol
Exact Mass321.99
IUPAC Name2-(4-bromo-2-methylphenyl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1cc(Br)ccc1-c1nc(Cl)c2c(n1)CCC2
InChIInChI=1S/C14H12BrClN2/c1-8-7-9(15)5-6-10(8)14-17-12-4-2-3-11(12)13(16)18-14/h5-7H,2-4H2,1H3
InChIKeyRUSOFRWHKLKFEJ-UHFFFAOYSA-N
XLogP4.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.62
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 103083752
2-(4-bromo-2-methylphenyl)-4,6-dichloro-5-iodopyrimidine
CID 103083583
4-chloro-2-(5-fluoro-2-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 62387415
2-(4-bromophenyl)-4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405639
4-chloro-2-(2-methylfuran-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 104789145
4-chloro-2-(2,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 89343072
2-(4-bromo-2-methylphenyl)-4,6-dichloro-5-propylpyrimidine
CID 103083580
4-chloro-2-(2,5-dichlorophenyl)-5,6,7,8-tetrahydroquinazoline
CID 114076229
4-chloro-2-(3-fluoro-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 61382076
3-(4-bromo-2-methylphenyl)-5-chloro-1H-1,2,4-triazole
CID 103084158
[2-(4-bromo-2-methylphenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 103083994
4-chloro-2-(3,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405558

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-(4-bromo-2-methylphenyl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 103083572) is 2-(4-bromo-2-methylphenyl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Cc1cc(Br)ccc1-c1nc(Cl)c2c(n1)CCC2.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is RUSOFRWHKLKFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2/c1-8-7-9(15)5-6-10(8)14-17-12-4-2-3-11(12)13(16)18-14/h5-7H,2-4H2,1H3.
What are the key properties of 2-(4-bromo-2-methylphenyl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-(4-bromo-2-methylphenyl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 323.62 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 103083572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).