methyl 6-methyl-2-propylsulfanylpyrimidine-4-carboxylate

C10H14N2O2S — CID 144808196

IUPACmethyl 6-methyl-2-propylsulfanylpyrimidine-4-carboxylate
SMILESCCCSc1nc(C)cc(C(=O)OC)n1
InChIInChI=1S/C10H14N2O2S/c1-4-5-15-10-11-7(2)6-8(12-10)9(13)14-3/h6H,4-5H2,1-3H3
InChIKeyFCSGZCMCZUWCPH-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.07
Rot. Bonds4

About methyl 6-methyl-2-propylsulfanylpyrimidine-4-carboxylate

methyl 6-methyl-2-propylsulfanylpyrimidine-4-carboxylate (PubChem CID 144808196) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is methyl 6-methyl-2-propylsulfanylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-2-propylsulfanylpyrimidine-4-carboxylate
PubChem CID144808196
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Namemethyl 6-methyl-2-propylsulfanylpyrimidine-4-carboxylate
SMILESCCCSc1nc(C)cc(C(=O)OC)n1
InChIInChI=1S/C10H14N2O2S/c1-4-5-15-10-11-7(2)6-8(12-10)9(13)14-3/h6H,4-5H2,1-3H3
InChIKeyFCSGZCMCZUWCPH-UHFFFAOYSA-N
XLogP2.07
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate
CID 69277954
methyl 2-amino-6-methylpyrimidine-4-carboxylate
CID 818455
methyl 3-(4-amino-6-methylpyrimidin-2-yl)sulfanylpropanoate
CID 115279578
dimethyl 4-propylpyridine-2,6-dicarboxylate
CID 138532950
6-methyl-2-propylsulfanylpyrimidine-4-carbonitrile
CID 107551361
2-(2-methoxyethylsulfanyl)-4,6-dimethylpyrimidine
CID 4204325
methyl 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]propanoate
CID 1280405
methyl 2-(2-bromo-4-propylanilino)-6-methylpyrimidine-4-carboxylate
CID 18323706
methyl 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2,2-dimethylpropanoate
CID 79629737
methyl 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetate
CID 37192190
methyl 2-(3,4-dimethylanilino)-6-methylpyrimidine-4-carboxylate
CID 71689122
methyl 2-(4-acetamidoanilino)-6-methylpyrimidine-4-carboxylate
CID 71689112

Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-2-propylsulfanylpyrimidine-4-carboxylate?
The IUPAC name of methyl 6-methyl-2-propylsulfanylpyrimidine-4-carboxylate (CID 144808196) is methyl 6-methyl-2-propylsulfanylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-methyl-2-propylsulfanylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-methyl-2-propylsulfanylpyrimidine-4-carboxylate is CCCSc1nc(C)cc(C(=O)OC)n1.
What is the InChIKey of methyl 6-methyl-2-propylsulfanylpyrimidine-4-carboxylate?
The InChIKey is FCSGZCMCZUWCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-4-5-15-10-11-7(2)6-8(12-10)9(13)14-3/h6H,4-5H2,1-3H3.
What are the key properties of methyl 6-methyl-2-propylsulfanylpyrimidine-4-carboxylate?
methyl 6-methyl-2-propylsulfanylpyrimidine-4-carboxylate has a molecular weight of 226.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-2-propylsulfanylpyrimidine-4-carboxylate is sourced from PubChem (CID 144808196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).