4-bromo-5-(2-propan-2-yloxyphenyl)pyrimidine

C13H13BrN2O — CID 105371401

IUPAC4-bromo-5-(2-propan-2-yloxyphenyl)pyrimidine
SMILESCC(C)Oc1ccccc1-c1cncnc1Br
InChIInChI=1S/C13H13BrN2O/c1-9(2)17-12-6-4-3-5-10(12)11-7-15-8-16-13(11)14/h3-9H,1-2H3
InChIKeyCNTPBXBEOXURDV-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.69
Rot. Bonds3

About 4-bromo-5-(2-propan-2-yloxyphenyl)pyrimidine

4-bromo-5-(2-propan-2-yloxyphenyl)pyrimidine (PubChem CID 105371401) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 4-bromo-5-(2-propan-2-yloxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-bromo-5-(2-propan-2-yloxyphenyl)pyrimidine
PubChem CID105371401
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name4-bromo-5-(2-propan-2-yloxyphenyl)pyrimidine
SMILESCC(C)Oc1ccccc1-c1cncnc1Br
InChIInChI=1S/C13H13BrN2O/c1-9(2)17-12-6-4-3-5-10(12)11-7-15-8-16-13(11)14/h3-9H,1-2H3
InChIKeyCNTPBXBEOXURDV-UHFFFAOYSA-N
XLogP3.69
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2-propan-2-yloxyphenyl)pyrimidine?
The IUPAC name of 4-bromo-5-(2-propan-2-yloxyphenyl)pyrimidine (CID 105371401) is 4-bromo-5-(2-propan-2-yloxyphenyl)pyrimidine.
What is the SMILES notation for 4-bromo-5-(2-propan-2-yloxyphenyl)pyrimidine?
The canonical SMILES for 4-bromo-5-(2-propan-2-yloxyphenyl)pyrimidine is CC(C)Oc1ccccc1-c1cncnc1Br.
What is the InChIKey of 4-bromo-5-(2-propan-2-yloxyphenyl)pyrimidine?
The InChIKey is CNTPBXBEOXURDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-9(2)17-12-6-4-3-5-10(12)11-7-15-8-16-13(11)14/h3-9H,1-2H3.
What are the key properties of 4-bromo-5-(2-propan-2-yloxyphenyl)pyrimidine?
4-bromo-5-(2-propan-2-yloxyphenyl)pyrimidine has a molecular weight of 293.16 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2-propan-2-yloxyphenyl)pyrimidine is sourced from PubChem (CID 105371401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).