5-bromo-4-chloro-2-(1-methoxypropyl)-6-propan-2-ylpyrimidine

C11H16BrClN2O — CID 116706501

IUPAC5-bromo-4-chloro-2-(1-methoxypropyl)-6-propan-2-ylpyrimidine
SMILESCCC(OC)c1nc(Cl)c(Br)c(C(C)C)n1
InChIInChI=1S/C11H16BrClN2O/c1-5-7(16-4)11-14-9(6(2)3)8(12)10(13)15-11/h6-7H,5H2,1-4H3
InChIKeyQWYYETVRVWKGLI-UHFFFAOYSA-N
MW307.62 g/mol
LogP4.11
Rot. Bonds4

About 5-bromo-4-chloro-2-(1-methoxypropyl)-6-propan-2-ylpyrimidine

5-bromo-4-chloro-2-(1-methoxypropyl)-6-propan-2-ylpyrimidine (PubChem CID 116706501) has the molecular formula C11H16BrClN2O and a molecular weight of 307.62 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(1-methoxypropyl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(1-methoxypropyl)-6-propan-2-ylpyrimidine
PubChem CID116706501
Molecular FormulaC11H16BrClN2O
Molecular Weight307.62 g/mol
Exact Mass306.01
IUPAC Name5-bromo-4-chloro-2-(1-methoxypropyl)-6-propan-2-ylpyrimidine
SMILESCCC(OC)c1nc(Cl)c(Br)c(C(C)C)n1
InChIInChI=1S/C11H16BrClN2O/c1-5-7(16-4)11-14-9(6(2)3)8(12)10(13)15-11/h6-7H,5H2,1-4H3
InChIKeyQWYYETVRVWKGLI-UHFFFAOYSA-N
XLogP4.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.62
LogP ≤ 54.11
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-2-(1-methoxypropyl)-6-propan-2-ylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(1-methoxypropyl)-6-propan-2-ylpyrimidine (CID 116706501) is 5-bromo-4-chloro-2-(1-methoxypropyl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(1-methoxypropyl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(1-methoxypropyl)-6-propan-2-ylpyrimidine is CCC(OC)c1nc(Cl)c(Br)c(C(C)C)n1.
What is the InChIKey of 5-bromo-4-chloro-2-(1-methoxypropyl)-6-propan-2-ylpyrimidine?
The InChIKey is QWYYETVRVWKGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2O/c1-5-7(16-4)11-14-9(6(2)3)8(12)10(13)15-11/h6-7H,5H2,1-4H3.
What are the key properties of 5-bromo-4-chloro-2-(1-methoxypropyl)-6-propan-2-ylpyrimidine?
5-bromo-4-chloro-2-(1-methoxypropyl)-6-propan-2-ylpyrimidine has a molecular weight of 307.62 g/mol, XLogP of 4.11, 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-2-(1-methoxypropyl)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 116706501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).