6-cyclopropyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione

C17H16N2O2S — CID 59351729

IUPAC6-cyclopropyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2sc(C3CC3)cc2c(=O)n1CCc1ccccc1
InChIInChI=1S/C17H16N2O2S/c20-16-13-10-14(12-6-7-12)22-15(13)18-17(21)19(16)9-8-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,18,21)
InChIKeyIOZZCDONSVLEKF-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.87
Rot. Bonds4

About 6-cyclopropyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione

6-cyclopropyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 59351729) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 6-cyclopropyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-cyclopropyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID59351729
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name6-cyclopropyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2sc(C3CC3)cc2c(=O)n1CCc1ccccc1
InChIInChI=1S/C17H16N2O2S/c20-16-13-10-14(12-6-7-12)22-15(13)18-17(21)19(16)9-8-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,18,21)
InChIKeyIOZZCDONSVLEKF-UHFFFAOYSA-N
XLogP2.87
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-cyclopropyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione 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

6-ethyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 59351643
6-methyl-3-(2-phenylethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 4507745
N-cyclopropyl-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide
CID 22423244
3-[2-(4-chlorophenyl)ethyl]-6-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 3289686
6-phenyl-3-(4-phenylbutyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 3295525
3-cyclohexyl-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
CID 91386998
3-(2-phenylethyl)-1H-pteridine-2,4-dione
CID 27558241
3-(3-hydroxypropyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 82342099
3-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-7-methoxy-1H-quinazoline-2,4-dione
CID 167968805
1-(2-phenylethyl)-3,7-dihydropurine-2,6-dione
CID 14969717
6-amino-5-bromo-1-(2-phenylethyl)pyrimidine-2,4-dione
CID 17333776
3-chloro-5-cyclopropyl-4-(2-phenylethyl)-1,2,4-triazole
CID 55184754

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-cyclopropyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione (CID 59351729) is 6-cyclopropyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-cyclopropyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-cyclopropyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione is O=c1[nH]c2sc(C3CC3)cc2c(=O)n1CCc1ccccc1.
What is the InChIKey of 6-cyclopropyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is IOZZCDONSVLEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c20-16-13-10-14(12-6-7-12)22-15(13)18-17(21)19(16)9-8-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,18,21).
What are the key properties of 6-cyclopropyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione?
6-cyclopropyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 312.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 59351729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).