2,5-dichloro-4-methylsulfanylpyrimidine

C5H4Cl2N2S — CID 58200927

IUPAC2,5-dichloro-4-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)ncc1Cl
InChIInChI=1S/C5H4Cl2N2S/c1-10-4-3(6)2-8-5(7)9-4/h2H,1H3
InChIKeyKVNQTSPPLQWYSO-UHFFFAOYSA-N
MW195.07 g/mol
LogP2.51
Rot. Bonds1

About 2,5-dichloro-4-methylsulfanylpyrimidine

2,5-dichloro-4-methylsulfanylpyrimidine (PubChem CID 58200927) has the molecular formula C5H4Cl2N2S and a molecular weight of 195.07 g/mol. Its IUPAC name is 2,5-dichloro-4-methylsulfanylpyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-methylsulfanylpyrimidine
PubChem CID58200927
Molecular FormulaC5H4Cl2N2S
Molecular Weight195.07 g/mol
Exact Mass193.95
IUPAC Name2,5-dichloro-4-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)ncc1Cl
InChIInChI=1S/C5H4Cl2N2S/c1-10-4-3(6)2-8-5(7)9-4/h2H,1H3
InChIKeyKVNQTSPPLQWYSO-UHFFFAOYSA-N
XLogP2.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.07
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-2-(methylthio)pyrimidine
CID 4737063
2-Chloro-4-(methylthio)pyrimidine
CID 16427148
5-Bromo-2-chloro-4-(methylthio)pyrimidine
CID 12264796
4-Chloro-5-iodo-2-(methylthio)pyrimidine
CID 13636519
4-Methylthiopyrimidine
CID 5324771
Pyrimidine, 5-bromo-4-(methylthio)-
CID 12270080
5-Chloro-2-(methylsulfanyl)-4-(tributylstannyl)pyrimidine
CID 14270847
2-Chloro-5-fluoro-4-(methylsulfanyl)pyrimidine
CID 13608251
2-Chloro-5-fluoro-4-thiocyanopyrimidine
CID 14256952
4-Chloro-5-(methylsulfanyl)pyrimidine
CID 21408171
4-Chloro-6-(methylsulfanyl)pyrimidine
CID 21813077
2-Chloro-5-(methylthio)pyrimidine
CID 21979532

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-methylsulfanylpyrimidine?
The IUPAC name of 2,5-dichloro-4-methylsulfanylpyrimidine (CID 58200927) is 2,5-dichloro-4-methylsulfanylpyrimidine.
What is the SMILES notation for 2,5-dichloro-4-methylsulfanylpyrimidine?
The canonical SMILES for 2,5-dichloro-4-methylsulfanylpyrimidine is CSc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-4-methylsulfanylpyrimidine?
The InChIKey is KVNQTSPPLQWYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N2S/c1-10-4-3(6)2-8-5(7)9-4/h2H,1H3.
What are the key properties of 2,5-dichloro-4-methylsulfanylpyrimidine?
2,5-dichloro-4-methylsulfanylpyrimidine has a molecular weight of 195.07 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-methylsulfanylpyrimidine is sourced from PubChem (CID 58200927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).