4-[4-(4-bromophenyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C17H19BrN4 — CID 155980197

IUPAC4-[4-(4-bromophenyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESBrc1ccc(N2CCN(c3ncnc4c3CCC4)CC2)cc1
InChIInChI=1S/C17H19BrN4/c18-13-4-6-14(7-5-13)21-8-10-22(11-9-21)17-15-2-1-3-16(15)19-12-20-17/h4-7,12H,1-3,8-11H2
InChIKeyDUSVJYVBQSDJBY-UHFFFAOYSA-N
MW359.27 g/mol
LogP3.05
Rot. Bonds2

About 4-[4-(4-bromophenyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-[4-(4-bromophenyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 155980197) has the molecular formula C17H19BrN4 and a molecular weight of 359.27 g/mol. Its IUPAC name is 4-[4-(4-bromophenyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-[4-(4-bromophenyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID155980197
Molecular FormulaC17H19BrN4
Molecular Weight359.27 g/mol
Exact Mass358.08
IUPAC Name4-[4-(4-bromophenyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESBrc1ccc(N2CCN(c3ncnc4c3CCC4)CC2)cc1
InChIInChI=1S/C17H19BrN4/c18-13-4-6-14(7-5-13)21-8-10-22(11-9-21)17-15-2-1-3-16(15)19-12-20-17/h4-7,12H,1-3,8-11H2
InChIKeyDUSVJYVBQSDJBY-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine
CID 3706864
4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride
CID 154583498
4-(4-chloropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 63388917
4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 171701475
2-[4-(4-bromophenyl)piperazin-1-yl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)acetamide
CID 139801399
4-[4-(azetidin-3-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 66203164
4-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 146074600
4-[4-(bromomethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 80669482
4-(3-bromopyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 80669009
2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine
CID 62833677
2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]ethanethioamide
CID 63336944
N-[5-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 163356638

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-bromophenyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-[4-(4-bromophenyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 155980197) is 4-[4-(4-bromophenyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-[4-(4-bromophenyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-[4-(4-bromophenyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Brc1ccc(N2CCN(c3ncnc4c3CCC4)CC2)cc1.
What is the InChIKey of 4-[4-(4-bromophenyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is DUSVJYVBQSDJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4/c18-13-4-6-14(7-5-13)21-8-10-22(11-9-21)17-15-2-1-3-16(15)19-12-20-17/h4-7,12H,1-3,8-11H2.
What are the key properties of 4-[4-(4-bromophenyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-[4-(4-bromophenyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 359.27 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-bromophenyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 155980197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).