2-(4-bromothiophen-2-yl)-4,6-dichloro-5-propylpyrimidine

C11H9BrCl2N2S — CID 63613660

IUPAC2-(4-bromothiophen-2-yl)-4,6-dichloro-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(-c2cc(Br)cs2)nc1Cl
InChIInChI=1S/C11H9BrCl2N2S/c1-2-3-7-9(13)15-11(16-10(7)14)8-4-6(12)5-17-8/h4-5H,2-3H2,1H3
InChIKeyNLALSUWRRLOCDH-UHFFFAOYSA-N
MW352.08 g/mol
LogP5.23
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-4,6-dichloro-5-propylpyrimidine

2-(4-bromothiophen-2-yl)-4,6-dichloro-5-propylpyrimidine (PubChem CID 63613660) has the molecular formula C11H9BrCl2N2S and a molecular weight of 352.08 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-4,6-dichloro-5-propylpyrimidine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-4,6-dichloro-5-propylpyrimidine
PubChem CID63613660
Molecular FormulaC11H9BrCl2N2S
Molecular Weight352.08 g/mol
Exact Mass349.90
IUPAC Name2-(4-bromothiophen-2-yl)-4,6-dichloro-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(-c2cc(Br)cs2)nc1Cl
InChIInChI=1S/C11H9BrCl2N2S/c1-2-3-7-9(13)15-11(16-10(7)14)8-4-6(12)5-17-8/h4-5H,2-3H2,1H3
InChIKeyNLALSUWRRLOCDH-UHFFFAOYSA-N
XLogP5.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.08
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-4,6-dichloro-5-propylpyrimidine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-4,6-dichloro-5-propylpyrimidine (CID 63613660) is 2-(4-bromothiophen-2-yl)-4,6-dichloro-5-propylpyrimidine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-4,6-dichloro-5-propylpyrimidine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-4,6-dichloro-5-propylpyrimidine is CCCc1c(Cl)nc(-c2cc(Br)cs2)nc1Cl.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-4,6-dichloro-5-propylpyrimidine?
The InChIKey is NLALSUWRRLOCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrCl2N2S/c1-2-3-7-9(13)15-11(16-10(7)14)8-4-6(12)5-17-8/h4-5H,2-3H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-4,6-dichloro-5-propylpyrimidine?
2-(4-bromothiophen-2-yl)-4,6-dichloro-5-propylpyrimidine has a molecular weight of 352.08 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-4,6-dichloro-5-propylpyrimidine is sourced from PubChem (CID 63613660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).