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

C14H13BrN2O — CID 81333719

IUPAC4-(4-bromo-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1cc(Oc2ncnc3c2CCC3)ccc1Br
InChIInChI=1S/C14H13BrN2O/c1-9-7-10(5-6-12(9)15)18-14-11-3-2-4-13(11)16-8-17-14/h5-8H,2-4H2,1H3
InChIKeyDWNWFPPMSZZMSF-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.83
Rot. Bonds2

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

4-(4-bromo-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 81333719) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 4-(4-bromo-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-(4-bromo-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID81333719
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name4-(4-bromo-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1cc(Oc2ncnc3c2CCC3)ccc1Br
InChIInChI=1S/C14H13BrN2O/c1-9-7-10(5-6-12(9)15)18-14-11-3-2-4-13(11)16-8-17-14/h5-8H,2-4H2,1H3
InChIKeyDWNWFPPMSZZMSF-UHFFFAOYSA-N
XLogP3.83
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-(4-bromo-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 81333719) is 4-(4-bromo-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-(4-bromo-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-(4-bromo-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Cc1cc(Oc2ncnc3c2CCC3)ccc1Br.
What is the InChIKey of 4-(4-bromo-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is DWNWFPPMSZZMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-9-7-10(5-6-12(9)15)18-14-11-3-2-4-13(11)16-8-17-14/h5-8H,2-4H2,1H3.
What are the key properties of 4-(4-bromo-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-(4-bromo-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 305.18 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 81333719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).