propan-2-yl 2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetate

C17H16N2O3S — CID 2106367

IUPACpropan-2-yl 2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetate
SMILESCC(C)OC(=O)Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1
InChIInChI=1S/C17H16N2O3S/c1-10(2)22-15(20)9-14-18-16(21)12-8-13(23-17(12)19-14)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,18,19,21)
InChIKeyGMARJZSRFLOPHZ-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.15
Rot. Bonds4

About propan-2-yl 2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetate

propan-2-yl 2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetate (PubChem CID 2106367) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is propan-2-yl 2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetate
PubChem CID2106367
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Namepropan-2-yl 2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetate
SMILESCC(C)OC(=O)Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1
InChIInChI=1S/C17H16N2O3S/c1-10(2)22-15(20)9-14-18-16(21)12-8-13(23-17(12)19-14)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,18,19,21)
InChIKeyGMARJZSRFLOPHZ-UHFFFAOYSA-N
XLogP3.15
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetate with MolForge

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Related Compounds

2-[({4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}methyl)sulfanyl]acetic acid
CID 2414076
2,6-diphenylthieno[2,3-d]pyrimidin-4(3H)-one
CID 705286
2-Methyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 730299
3-Amino-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 829334
2-(6-Methyl-4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)acetamide
CID 852959
2-benzyl-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
CID 902249
2-(methylsulfanylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2452325
6-methyl-2-(4-morpholinylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
CID 7309622
5-Benzyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
CID 24156462
2-benzyl-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 902241
2-Benzyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 962676
2-(2-phenylvinyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
CID 5834640

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetate?
The IUPAC name of propan-2-yl 2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetate (CID 2106367) is propan-2-yl 2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetate?
The canonical SMILES for propan-2-yl 2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetate is CC(C)OC(=O)Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1.
What is the InChIKey of propan-2-yl 2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetate?
The InChIKey is GMARJZSRFLOPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-10(2)22-15(20)9-14-18-16(21)12-8-13(23-17(12)19-14)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,18,19,21).
What are the key properties of propan-2-yl 2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetate?
propan-2-yl 2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetate has a molecular weight of 328.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetate is sourced from PubChem (CID 2106367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).