5-bromo-4-chloro-2-(4-ethoxyphenyl)pyrimidine

C12H10BrClN2O — CID 66312090

IUPAC5-bromo-4-chloro-2-(4-ethoxyphenyl)pyrimidine
SMILESCCOc1ccc(-c2ncc(Br)c(Cl)n2)cc1
InChIInChI=1S/C12H10BrClN2O/c1-2-17-9-5-3-8(4-6-9)12-15-7-10(13)11(14)16-12/h3-7H,2H2,1H3
InChIKeyLTHUNOWLHGCOLN-UHFFFAOYSA-N
MW313.58 g/mol
LogP3.96
Rot. Bonds3

About 5-bromo-4-chloro-2-(4-ethoxyphenyl)pyrimidine

5-bromo-4-chloro-2-(4-ethoxyphenyl)pyrimidine (PubChem CID 66312090) has the molecular formula C12H10BrClN2O and a molecular weight of 313.58 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(4-ethoxyphenyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(4-ethoxyphenyl)pyrimidine
PubChem CID66312090
Molecular FormulaC12H10BrClN2O
Molecular Weight313.58 g/mol
Exact Mass311.97
IUPAC Name5-bromo-4-chloro-2-(4-ethoxyphenyl)pyrimidine
SMILESCCOc1ccc(-c2ncc(Br)c(Cl)n2)cc1
InChIInChI=1S/C12H10BrClN2O/c1-2-17-9-5-3-8(4-6-9)12-15-7-10(13)11(14)16-12/h3-7H,2H2,1H3
InChIKeyLTHUNOWLHGCOLN-UHFFFAOYSA-N
XLogP3.96
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.58
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 5457
CID 5457
CID 6136
CID 6136
CID 3084983
CID 3084983
CID 604596
CID 604596
CID 623352
CID 623352
CID 12238609
CID 12238609
CID 12238611
CID 12238611
CID 739795
CID 739795
CID 826184
CID 826184
CID 10943178
CID 10943178
CID 146417859
CID 146417859
CID 146427600
CID 146427600

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(4-ethoxyphenyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(4-ethoxyphenyl)pyrimidine (CID 66312090) is 5-bromo-4-chloro-2-(4-ethoxyphenyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(4-ethoxyphenyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(4-ethoxyphenyl)pyrimidine is CCOc1ccc(-c2ncc(Br)c(Cl)n2)cc1.
What is the InChIKey of 5-bromo-4-chloro-2-(4-ethoxyphenyl)pyrimidine?
The InChIKey is LTHUNOWLHGCOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O/c1-2-17-9-5-3-8(4-6-9)12-15-7-10(13)11(14)16-12/h3-7H,2H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-(4-ethoxyphenyl)pyrimidine?
5-bromo-4-chloro-2-(4-ethoxyphenyl)pyrimidine has a molecular weight of 313.58 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(4-ethoxyphenyl)pyrimidine is sourced from PubChem (CID 66312090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).