4,6-dichloro-5-ethyl-2-thiophen-2-ylpyrimidine

C10H8Cl2N2S — CID 63613318

IUPAC4,6-dichloro-5-ethyl-2-thiophen-2-ylpyrimidine
SMILESCCc1c(Cl)nc(-c2cccs2)nc1Cl
InChIInChI=1S/C10H8Cl2N2S/c1-2-6-8(11)13-10(14-9(6)12)7-4-3-5-15-7/h3-5H,2H2,1H3
InChIKeyOXAZFAHOJQXOAX-UHFFFAOYSA-N
MW259.16 g/mol
LogP4.07
Rot. Bonds2

About 4,6-dichloro-5-ethyl-2-thiophen-2-ylpyrimidine

4,6-dichloro-5-ethyl-2-thiophen-2-ylpyrimidine (PubChem CID 63613318) has the molecular formula C10H8Cl2N2S and a molecular weight of 259.16 g/mol. Its IUPAC name is 4,6-dichloro-5-ethyl-2-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-ethyl-2-thiophen-2-ylpyrimidine
PubChem CID63613318
Molecular FormulaC10H8Cl2N2S
Molecular Weight259.16 g/mol
Exact Mass257.98
IUPAC Name4,6-dichloro-5-ethyl-2-thiophen-2-ylpyrimidine
SMILESCCc1c(Cl)nc(-c2cccs2)nc1Cl
InChIInChI=1S/C10H8Cl2N2S/c1-2-6-8(11)13-10(14-9(6)12)7-4-3-5-15-7/h3-5H,2H2,1H3
InChIKeyOXAZFAHOJQXOAX-UHFFFAOYSA-N
XLogP4.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-chloro-6-propyl-2-thiophen-2-ylpyrimidine
CID 66292949
4-chloro-5-iodo-6-(methoxymethyl)-2-thiophen-2-ylpyrimidine
CID 66294484
4-chloro-6-methyl-5-propan-2-yl-2-thiophen-2-ylpyrimidine
CID 62913706
4,6-dichloro-2-thiophen-2-ylquinazoline
CID 55180550
4-chloro-2-thiophen-2-ylbenzo[g]quinazoline
CID 114589464
4-chloro-5-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidine
CID 60999742
4-chloro-5-methoxy-2-thiophen-2-ylquinazoline
CID 22124922
4-chloro-5-iodo-6-phenyl-2-thiophen-2-ylpyrimidine
CID 66293940
4-chloro-2-thiophen-2-ylpyrimidine-5-carbonitrile
CID 83707861
4,6-dichloro-5-ethyl-2-(4-ethylphenyl)pyrimidine
CID 63611306
2-(4-propan-2-ylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine
CID 126550812
4,6-dichloro-2-pyrimidin-2-yl-5-thiophen-2-ylpyrimidine
CID 18931105

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-ethyl-2-thiophen-2-ylpyrimidine?
The IUPAC name of 4,6-dichloro-5-ethyl-2-thiophen-2-ylpyrimidine (CID 63613318) is 4,6-dichloro-5-ethyl-2-thiophen-2-ylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-ethyl-2-thiophen-2-ylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-ethyl-2-thiophen-2-ylpyrimidine is CCc1c(Cl)nc(-c2cccs2)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-ethyl-2-thiophen-2-ylpyrimidine?
The InChIKey is OXAZFAHOJQXOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2S/c1-2-6-8(11)13-10(14-9(6)12)7-4-3-5-15-7/h3-5H,2H2,1H3.
What are the key properties of 4,6-dichloro-5-ethyl-2-thiophen-2-ylpyrimidine?
4,6-dichloro-5-ethyl-2-thiophen-2-ylpyrimidine has a molecular weight of 259.16 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-ethyl-2-thiophen-2-ylpyrimidine is sourced from PubChem (CID 63613318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).