4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C18H20BrFN4 — CID 171701475

IUPAC4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFc1c(Br)cccc1CN1CCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C18H20BrFN4/c19-15-5-1-3-13(17(15)20)11-23-7-9-24(10-8-23)18-14-4-2-6-16(14)21-12-22-18/h1,3,5,12H,2,4,6-11H2
InChIKeyPLVFRTVYECOWHE-UHFFFAOYSA-N
MW391.29 g/mol
LogP3.19
Rot. Bonds3

About 4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 171701475) has the molecular formula C18H20BrFN4 and a molecular weight of 391.29 g/mol. Its IUPAC name is 4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID171701475
Molecular FormulaC18H20BrFN4
Molecular Weight391.29 g/mol
Exact Mass390.09
IUPAC Name4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFc1c(Br)cccc1CN1CCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C18H20BrFN4/c19-15-5-1-3-13(17(15)20)11-23-7-9-24(10-8-23)18-14-4-2-6-16(14)21-12-22-18/h1,3,5,12H,2,4,6-11H2
InChIKeyPLVFRTVYECOWHE-UHFFFAOYSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 171337724
1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-bromophenyl)methyl]piperazine
CID 171701593
4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6-methylpyrimidine
CID 171704326
4-[4-(4-bromophenyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 155980197
4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-2-methylpyrimidine
CID 171701112
4-(2,5-dihydropyrrol-1-yl)-7-(quinolin-8-ylmethyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 56917008
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
4-[(3-bromo-2-fluorophenyl)methyl]morpholine
CID 70699667
1-[(3-bromo-2-fluorophenyl)methyl]piperazine
CID 83744163
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 134031869
2-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6-chloroquinoxaline
CID 171702067

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 171701475) is 4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Fc1c(Br)cccc1CN1CCN(c2ncnc3c2CCC3)CC1.
What is the InChIKey of 4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is PLVFRTVYECOWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN4/c19-15-5-1-3-13(17(15)20)11-23-7-9-24(10-8-23)18-14-4-2-6-16(14)21-12-22-18/h1,3,5,12H,2,4,6-11H2.
What are the key properties of 4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 391.29 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 171701475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).