cyclopropylmethyl 6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

C14H16N2O3S — CID 162667072

IUPACcyclopropylmethyl 6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=C(C(=O)OCC2CC2)C(c2ccsc2)NC(=O)N1
InChIInChI=1S/C14H16N2O3S/c1-8-11(13(17)19-6-9-2-3-9)12(16-14(18)15-8)10-4-5-20-7-10/h4-5,7,9,12H,2-3,6H2,1H3,(H2,15,16,18)
InChIKeyZJZLVZKCQHYCRA-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.33
Rot. Bonds4

About cyclopropylmethyl 6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

cyclopropylmethyl 6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 162667072) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is cyclopropylmethyl 6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID162667072
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Namecyclopropylmethyl 6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=C(C(=O)OCC2CC2)C(c2ccsc2)NC(=O)N1
InChIInChI=1S/C14H16N2O3S/c1-8-11(13(17)19-6-9-2-3-9)12(16-14(18)15-8)10-4-5-20-7-10/h4-5,7,9,12H,2-3,6H2,1H3,(H2,15,16,18)
InChIKeyZJZLVZKCQHYCRA-UHFFFAOYSA-N
XLogP2.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of cyclopropylmethyl 6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 162667072) is cyclopropylmethyl 6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for cyclopropylmethyl 6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for cyclopropylmethyl 6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate is CC1=C(C(=O)OCC2CC2)C(c2ccsc2)NC(=O)N1.
What is the InChIKey of cyclopropylmethyl 6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is ZJZLVZKCQHYCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-8-11(13(17)19-6-9-2-3-9)12(16-14(18)15-8)10-4-5-20-7-10/h4-5,7,9,12H,2-3,6H2,1H3,(H2,15,16,18).
What are the key properties of cyclopropylmethyl 6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
cyclopropylmethyl 6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 292.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 162667072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).