methyl 4-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxylate

C10H12N2O2S — CID 46739150

IUPACmethyl 4-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(SC)nc1C1CC1
InChIInChI=1S/C10H12N2O2S/c1-14-9(13)7-5-11-10(15-2)12-8(7)6-3-4-6/h5-6H,3-4H2,1-2H3
InChIKeyAHCQLIHOJARIKX-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.86
Rot. Bonds3

About methyl 4-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxylate

methyl 4-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxylate (PubChem CID 46739150) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is methyl 4-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxylate
PubChem CID46739150
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Namemethyl 4-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(SC)nc1C1CC1
InChIInChI=1S/C10H12N2O2S/c1-14-9(13)7-5-11-10(15-2)12-8(7)6-3-4-6/h5-6H,3-4H2,1-2H3
InChIKeyAHCQLIHOJARIKX-UHFFFAOYSA-N
XLogP1.86
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxylate?
The IUPAC name of methyl 4-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxylate (CID 46739150) is methyl 4-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxylate is COC(=O)c1cnc(SC)nc1C1CC1.
What is the InChIKey of methyl 4-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxylate?
The InChIKey is AHCQLIHOJARIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-14-9(13)7-5-11-10(15-2)12-8(7)6-3-4-6/h5-6H,3-4H2,1-2H3.
What are the key properties of methyl 4-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxylate?
methyl 4-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxylate has a molecular weight of 224.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxylate is sourced from PubChem (CID 46739150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).