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

C14H18N2O3S — CID 2882039

IUPACpropan-2-yl 3,4-dimethyl-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate
SMILESCC1=C(C(=O)OC(C)C)C(c2ccsc2)NC(=O)N1C
InChIInChI=1S/C14H18N2O3S/c1-8(2)19-13(17)11-9(3)16(4)14(18)15-12(11)10-5-6-20-7-10/h5-8,12H,1-4H3,(H,15,18)
InChIKeyLAPSICMFUIXQHS-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.67
Rot. Bonds3

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

propan-2-yl 3,4-dimethyl-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 2882039) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is propan-2-yl 3,4-dimethyl-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3,4-dimethyl-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate
PubChem CID2882039
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Namepropan-2-yl 3,4-dimethyl-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate
SMILESCC1=C(C(=O)OC(C)C)C(c2ccsc2)NC(=O)N1C
InChIInChI=1S/C14H18N2O3S/c1-8(2)19-13(17)11-9(3)16(4)14(18)15-12(11)10-5-6-20-7-10/h5-8,12H,1-4H3,(H,15,18)
InChIKeyLAPSICMFUIXQHS-UHFFFAOYSA-N
XLogP2.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3,4-dimethyl-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of propan-2-yl 3,4-dimethyl-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate (CID 2882039) is propan-2-yl 3,4-dimethyl-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for propan-2-yl 3,4-dimethyl-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for propan-2-yl 3,4-dimethyl-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate is CC1=C(C(=O)OC(C)C)C(c2ccsc2)NC(=O)N1C.
What is the InChIKey of propan-2-yl 3,4-dimethyl-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is LAPSICMFUIXQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-8(2)19-13(17)11-9(3)16(4)14(18)15-12(11)10-5-6-20-7-10/h5-8,12H,1-4H3,(H,15,18).
What are the key properties of propan-2-yl 3,4-dimethyl-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate?
propan-2-yl 3,4-dimethyl-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 294.38 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3,4-dimethyl-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 2882039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).