ethyl 4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carboxylate

C10H14ClN3O2S — CID 171524423

IUPACethyl 4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(Cl)nc(SC)nc1N(C)C
InChIInChI=1S/C10H14ClN3O2S/c1-5-16-9(15)6-7(11)12-10(17-4)13-8(6)14(2)3/h5H2,1-4H3
InChIKeyLTOWEJLLEFTYSC-UHFFFAOYSA-N
MW275.76 g/mol
LogP2.09
Rot. Bonds4

About ethyl 4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carboxylate

ethyl 4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carboxylate (PubChem CID 171524423) has the molecular formula C10H14ClN3O2S and a molecular weight of 275.76 g/mol. Its IUPAC name is ethyl 4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carboxylate
PubChem CID171524423
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC Nameethyl 4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(Cl)nc(SC)nc1N(C)C
InChIInChI=1S/C10H14ClN3O2S/c1-5-16-9(15)6-7(11)12-10(17-4)13-8(6)14(2)3/h5H2,1-4H3
InChIKeyLTOWEJLLEFTYSC-UHFFFAOYSA-N
XLogP2.09
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carboxylate (CID 171524423) is ethyl 4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carboxylate is CCOC(=O)c1c(Cl)nc(SC)nc1N(C)C.
What is the InChIKey of ethyl 4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carboxylate?
The InChIKey is LTOWEJLLEFTYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2S/c1-5-16-9(15)6-7(11)12-10(17-4)13-8(6)14(2)3/h5H2,1-4H3.
What are the key properties of ethyl 4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carboxylate?
ethyl 4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carboxylate has a molecular weight of 275.76 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carboxylate is sourced from PubChem (CID 171524423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).