4-(4-bromothiophen-3-yl)-2-chloro-5-methylpyrimidine

C9H6BrClN2S — CID 79601582

IUPAC4-(4-bromothiophen-3-yl)-2-chloro-5-methylpyrimidine
SMILESCc1cnc(Cl)nc1-c1cscc1Br
InChIInChI=1S/C9H6BrClN2S/c1-5-2-12-9(11)13-8(5)6-3-14-4-7(6)10/h2-4H,1H3
InChIKeyOODXCOULGJUKFX-UHFFFAOYSA-N
MW289.59 g/mol
LogP3.93
Rot. Bonds1

About 4-(4-bromothiophen-3-yl)-2-chloro-5-methylpyrimidine

4-(4-bromothiophen-3-yl)-2-chloro-5-methylpyrimidine (PubChem CID 79601582) has the molecular formula C9H6BrClN2S and a molecular weight of 289.59 g/mol. Its IUPAC name is 4-(4-bromothiophen-3-yl)-2-chloro-5-methylpyrimidine.

Molecular Properties

Compound Name4-(4-bromothiophen-3-yl)-2-chloro-5-methylpyrimidine
PubChem CID79601582
Molecular FormulaC9H6BrClN2S
Molecular Weight289.59 g/mol
Exact Mass287.91
IUPAC Name4-(4-bromothiophen-3-yl)-2-chloro-5-methylpyrimidine
SMILESCc1cnc(Cl)nc1-c1cscc1Br
InChIInChI=1S/C9H6BrClN2S/c1-5-2-12-9(11)13-8(5)6-3-14-4-7(6)10/h2-4H,1H3
InChIKeyOODXCOULGJUKFX-UHFFFAOYSA-N
XLogP3.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.59
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromothiophen-3-yl)-2-chloro-5-methylpyrimidine?
The IUPAC name of 4-(4-bromothiophen-3-yl)-2-chloro-5-methylpyrimidine (CID 79601582) is 4-(4-bromothiophen-3-yl)-2-chloro-5-methylpyrimidine.
What is the SMILES notation for 4-(4-bromothiophen-3-yl)-2-chloro-5-methylpyrimidine?
The canonical SMILES for 4-(4-bromothiophen-3-yl)-2-chloro-5-methylpyrimidine is Cc1cnc(Cl)nc1-c1cscc1Br.
What is the InChIKey of 4-(4-bromothiophen-3-yl)-2-chloro-5-methylpyrimidine?
The InChIKey is OODXCOULGJUKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2S/c1-5-2-12-9(11)13-8(5)6-3-14-4-7(6)10/h2-4H,1H3.
What are the key properties of 4-(4-bromothiophen-3-yl)-2-chloro-5-methylpyrimidine?
4-(4-bromothiophen-3-yl)-2-chloro-5-methylpyrimidine has a molecular weight of 289.59 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromothiophen-3-yl)-2-chloro-5-methylpyrimidine is sourced from PubChem (CID 79601582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).