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

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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).