ethyl 4-(furan-2-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate

C13H16N2O3S — CID 146364871

IUPACethyl 4-(furan-2-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(SC)=NC1c1ccco1
InChIInChI=1S/C13H16N2O3S/c1-4-17-12(16)10-8(2)14-13(19-3)15-11(10)9-6-5-7-18-9/h5-7,11H,4H2,1-3H3,(H,14,15)
InChIKeyLHFLZSDJZUABHC-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.48
Rot. Bonds3

About ethyl 4-(furan-2-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate

ethyl 4-(furan-2-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate (PubChem CID 146364871) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is ethyl 4-(furan-2-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(furan-2-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate
PubChem CID146364871
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Nameethyl 4-(furan-2-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(SC)=NC1c1ccco1
InChIInChI=1S/C13H16N2O3S/c1-4-17-12(16)10-8(2)14-13(19-3)15-11(10)9-6-5-7-18-9/h5-7,11H,4H2,1-3H3,(H,14,15)
InChIKeyLHFLZSDJZUABHC-UHFFFAOYSA-N
XLogP2.48
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(furan-2-yl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylate
CID 15306525
ethyl 4-(furan-2-yl)-1,6-dimethyl-2-methylsulfanyl-4H-pyrimidine-5-carboxylate
CID 545037
ethyl 5-acetyl-4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
CID 102176360
5-O-ethyl 3-O-methyl (4S)-4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 748387
diethyl 2-formyl-4-(furan-2-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 13469467
ethyl 2-(furan-2-yl)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate
CID 25000558
ethyl 4-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate
CID 3980321
3-[(5-ethoxycarbonyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]propanoic acid
CID 4287157
ethyl 2-(3-ethoxy-3-oxopropyl)sulfanyl-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate
CID 14397949
propyl (4R)-4-(furan-2-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7052989
pentyl (4S)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7053020
propyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 15524546

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(furan-2-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(furan-2-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate (CID 146364871) is ethyl 4-(furan-2-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(furan-2-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(furan-2-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate is CCOC(=O)C1=C(C)NC(SC)=NC1c1ccco1.
What is the InChIKey of ethyl 4-(furan-2-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate?
The InChIKey is LHFLZSDJZUABHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-4-17-12(16)10-8(2)14-13(19-3)15-11(10)9-6-5-7-18-9/h5-7,11H,4H2,1-3H3,(H,14,15).
What are the key properties of ethyl 4-(furan-2-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate?
ethyl 4-(furan-2-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate has a molecular weight of 280.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(furan-2-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 146364871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).