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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Isopropyl 6-methyl-2-oxo-4-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 616931
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-(2-thienyl)-, ethyl ester
CID 332931
Ethyl 2-oxo-6-phenyl-4-(3-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 2907111
Ethyl 6-methyl-4-(3-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 2895908
Ethyl 6-methyl-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2874872
Benzyl 1,6-dimethyl-2-oxo-4-(3-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 2882256
(S)-Syaf080
CID 876881
5-Pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-6-methyl-2-oxo-4-(3-thienyl)-,2-methylpropyl ester
CID 3481963
propan-2-yl 6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 18079460
propan-2-yl 6-methyl-2-sulfanylidene-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 47104774
Ethyl 2-(cyanoamino)-6-methyl-4-thiophen-3-yl-1,4-dihydropyrimidine-5-carboxylate
CID 137650340
Propan-2-yl 2-(cyanoamino)-6-methyl-4-thiophen-3-yl-1,4-dihydropyrimidine-5-carboxylate
CID 137656644

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).