2-(5-bromothiophen-2-yl)-4-chloro-5,6-dimethylpyrimidine

C10H8BrClN2S — CID 60996521

IUPAC2-(5-bromothiophen-2-yl)-4-chloro-5,6-dimethylpyrimidine
SMILESCc1nc(-c2ccc(Br)s2)nc(Cl)c1C
InChIInChI=1S/C10H8BrClN2S/c1-5-6(2)13-10(14-9(5)12)7-3-4-8(11)15-7/h3-4H,1-2H3
InChIKeyNIDSKPRHHAFJNP-UHFFFAOYSA-N
MW303.61 g/mol
LogP4.24
Rot. Bonds1

About 2-(5-bromothiophen-2-yl)-4-chloro-5,6-dimethylpyrimidine

2-(5-bromothiophen-2-yl)-4-chloro-5,6-dimethylpyrimidine (PubChem CID 60996521) has the molecular formula C10H8BrClN2S and a molecular weight of 303.61 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-4-chloro-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-4-chloro-5,6-dimethylpyrimidine
PubChem CID60996521
Molecular FormulaC10H8BrClN2S
Molecular Weight303.61 g/mol
Exact Mass301.93
IUPAC Name2-(5-bromothiophen-2-yl)-4-chloro-5,6-dimethylpyrimidine
SMILESCc1nc(-c2ccc(Br)s2)nc(Cl)c1C
InChIInChI=1S/C10H8BrClN2S/c1-5-6(2)13-10(14-9(5)12)7-3-4-8(11)15-7/h3-4H,1-2H3
InChIKeyNIDSKPRHHAFJNP-UHFFFAOYSA-N
XLogP4.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.61
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-4-chloro-5,6-dimethylpyrimidine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-4-chloro-5,6-dimethylpyrimidine (CID 60996521) is 2-(5-bromothiophen-2-yl)-4-chloro-5,6-dimethylpyrimidine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-4-chloro-5,6-dimethylpyrimidine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-4-chloro-5,6-dimethylpyrimidine is Cc1nc(-c2ccc(Br)s2)nc(Cl)c1C.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-4-chloro-5,6-dimethylpyrimidine?
The InChIKey is NIDSKPRHHAFJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2S/c1-5-6(2)13-10(14-9(5)12)7-3-4-8(11)15-7/h3-4H,1-2H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-4-chloro-5,6-dimethylpyrimidine?
2-(5-bromothiophen-2-yl)-4-chloro-5,6-dimethylpyrimidine has a molecular weight of 303.61 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-4-chloro-5,6-dimethylpyrimidine is sourced from PubChem (CID 60996521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).