4-(3-bromophenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C13H11BrN2O — CID 62833852

IUPAC4-(3-bromophenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESBrc1cccc(Oc2ncnc3c2CCC3)c1
InChIInChI=1S/C13H11BrN2O/c14-9-3-1-4-10(7-9)17-13-11-5-2-6-12(11)15-8-16-13/h1,3-4,7-8H,2,5-6H2
InChIKeyUJNSLXZNPGTFPQ-UHFFFAOYSA-N
MW291.15 g/mol
LogP3.52
Rot. Bonds2

About 4-(3-bromophenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-(3-bromophenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 62833852) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 4-(3-bromophenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-(3-bromophenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID62833852
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name4-(3-bromophenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESBrc1cccc(Oc2ncnc3c2CCC3)c1
InChIInChI=1S/C13H11BrN2O/c14-9-3-1-4-10(7-9)17-13-11-5-2-6-12(11)15-8-16-13/h1,3-4,7-8H,2,5-6H2
InChIKeyUJNSLXZNPGTFPQ-UHFFFAOYSA-N
XLogP3.52
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)phenol
CID 62831524
4-(4-bromo-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 81333719
5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-2-methoxyaniline
CID 103201955
[2-chloro-4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yloxy)phenyl]methanamine
CID 102724735
4-(3-methoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81222600
6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80869818
5-bromo-2-(3-bromophenoxy)pyridin-3-amine
CID 61228290
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)pyridine-2-carboxylic acid
CID 55121412
[6-(3-bromophenoxy)-5-ethylpyrimidin-4-yl]hydrazine
CID 80915780
2-(3-bromophenoxy)pyridin-3-amine
CID 16782330
4-[3-(methoxymethyl)phenoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81222870
[2-chloro-6-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yloxy)phenyl]methanamine
CID 114323882

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-(3-bromophenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 62833852) is 4-(3-bromophenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-(3-bromophenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-(3-bromophenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Brc1cccc(Oc2ncnc3c2CCC3)c1.
What is the InChIKey of 4-(3-bromophenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is UJNSLXZNPGTFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c14-9-3-1-4-10(7-9)17-13-11-5-2-6-12(11)15-8-16-13/h1,3-4,7-8H,2,5-6H2.
What are the key properties of 4-(3-bromophenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-(3-bromophenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 291.15 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 62833852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).