methyl 3,5-dimethyl-2-oxo-6-thiophen-2-yl-1,6-dihydropyrimidine-4-carboxylate

C12H14N2O3S — CID 2999918

IUPACmethyl 3,5-dimethyl-2-oxo-6-thiophen-2-yl-1,6-dihydropyrimidine-4-carboxylate
SMILESCOC(=O)C1=C(C)C(c2cccs2)NC(=O)N1C
InChIInChI=1S/C12H14N2O3S/c1-7-9(8-5-4-6-18-8)13-12(16)14(2)10(7)11(15)17-3/h4-6,9H,1-3H3,(H,13,16)
InChIKeySOADVGYCHHJHNQ-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.89
Rot. Bonds2

About methyl 3,5-dimethyl-2-oxo-6-thiophen-2-yl-1,6-dihydropyrimidine-4-carboxylate

methyl 3,5-dimethyl-2-oxo-6-thiophen-2-yl-1,6-dihydropyrimidine-4-carboxylate (PubChem CID 2999918) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is methyl 3,5-dimethyl-2-oxo-6-thiophen-2-yl-1,6-dihydropyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3,5-dimethyl-2-oxo-6-thiophen-2-yl-1,6-dihydropyrimidine-4-carboxylate
PubChem CID2999918
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Namemethyl 3,5-dimethyl-2-oxo-6-thiophen-2-yl-1,6-dihydropyrimidine-4-carboxylate
SMILESCOC(=O)C1=C(C)C(c2cccs2)NC(=O)N1C
InChIInChI=1S/C12H14N2O3S/c1-7-9(8-5-4-6-18-8)13-12(16)14(2)10(7)11(15)17-3/h4-6,9H,1-3H3,(H,13,16)
InChIKeySOADVGYCHHJHNQ-UHFFFAOYSA-N
XLogP1.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3,5-dimethyl-2-oxo-6-thiophen-2-yl-1,6-dihydropyrimidine-4-carboxylate?
The IUPAC name of methyl 3,5-dimethyl-2-oxo-6-thiophen-2-yl-1,6-dihydropyrimidine-4-carboxylate (CID 2999918) is methyl 3,5-dimethyl-2-oxo-6-thiophen-2-yl-1,6-dihydropyrimidine-4-carboxylate.
What is the SMILES notation for methyl 3,5-dimethyl-2-oxo-6-thiophen-2-yl-1,6-dihydropyrimidine-4-carboxylate?
The canonical SMILES for methyl 3,5-dimethyl-2-oxo-6-thiophen-2-yl-1,6-dihydropyrimidine-4-carboxylate is COC(=O)C1=C(C)C(c2cccs2)NC(=O)N1C.
What is the InChIKey of methyl 3,5-dimethyl-2-oxo-6-thiophen-2-yl-1,6-dihydropyrimidine-4-carboxylate?
The InChIKey is SOADVGYCHHJHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-7-9(8-5-4-6-18-8)13-12(16)14(2)10(7)11(15)17-3/h4-6,9H,1-3H3,(H,13,16).
What are the key properties of methyl 3,5-dimethyl-2-oxo-6-thiophen-2-yl-1,6-dihydropyrimidine-4-carboxylate?
methyl 3,5-dimethyl-2-oxo-6-thiophen-2-yl-1,6-dihydropyrimidine-4-carboxylate has a molecular weight of 266.32 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-dimethyl-2-oxo-6-thiophen-2-yl-1,6-dihydropyrimidine-4-carboxylate is sourced from PubChem (CID 2999918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).