5-bromo-4-chloro-6-ethyl-2-(4-propan-2-yloxyphenyl)pyrimidine

C15H16BrClN2O — CID 66313620

IUPAC5-bromo-4-chloro-6-ethyl-2-(4-propan-2-yloxyphenyl)pyrimidine
SMILESCCc1nc(-c2ccc(OC(C)C)cc2)nc(Cl)c1Br
InChIInChI=1S/C15H16BrClN2O/c1-4-12-13(16)14(17)19-15(18-12)10-5-7-11(8-6-10)20-9(2)3/h5-9H,4H2,1-3H3
InChIKeyNLRRBMISYGCIAA-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.91
Rot. Bonds4

About 5-bromo-4-chloro-6-ethyl-2-(4-propan-2-yloxyphenyl)pyrimidine

5-bromo-4-chloro-6-ethyl-2-(4-propan-2-yloxyphenyl)pyrimidine (PubChem CID 66313620) has the molecular formula C15H16BrClN2O and a molecular weight of 355.66 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-ethyl-2-(4-propan-2-yloxyphenyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-ethyl-2-(4-propan-2-yloxyphenyl)pyrimidine
PubChem CID66313620
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC Name5-bromo-4-chloro-6-ethyl-2-(4-propan-2-yloxyphenyl)pyrimidine
SMILESCCc1nc(-c2ccc(OC(C)C)cc2)nc(Cl)c1Br
InChIInChI=1S/C15H16BrClN2O/c1-4-12-13(16)14(17)19-15(18-12)10-5-7-11(8-6-10)20-9(2)3/h5-9H,4H2,1-3H3
InChIKeyNLRRBMISYGCIAA-UHFFFAOYSA-N
XLogP4.91
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-ethyl-2-(4-propan-2-yloxyphenyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-ethyl-2-(4-propan-2-yloxyphenyl)pyrimidine (CID 66313620) is 5-bromo-4-chloro-6-ethyl-2-(4-propan-2-yloxyphenyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-ethyl-2-(4-propan-2-yloxyphenyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-ethyl-2-(4-propan-2-yloxyphenyl)pyrimidine is CCc1nc(-c2ccc(OC(C)C)cc2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-ethyl-2-(4-propan-2-yloxyphenyl)pyrimidine?
The InChIKey is NLRRBMISYGCIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c1-4-12-13(16)14(17)19-15(18-12)10-5-7-11(8-6-10)20-9(2)3/h5-9H,4H2,1-3H3.
What are the key properties of 5-bromo-4-chloro-6-ethyl-2-(4-propan-2-yloxyphenyl)pyrimidine?
5-bromo-4-chloro-6-ethyl-2-(4-propan-2-yloxyphenyl)pyrimidine has a molecular weight of 355.66 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-ethyl-2-(4-propan-2-yloxyphenyl)pyrimidine is sourced from PubChem (CID 66313620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).