6-(4-chlorophenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione

C17H17ClN2O3S — CID 118863115

IUPAC6-(4-chlorophenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1c(-c2ccc(Cl)cc2)sc2c1c(=O)n(CCCO)c(=O)n2C
InChIInChI=1S/C17H17ClN2O3S/c1-10-13-15(22)20(8-3-9-21)17(23)19(2)16(13)24-14(10)11-4-6-12(18)7-5-11/h4-7,21H,3,8-9H2,1-2H3
InChIKeyWQRGHSSPNYUZEW-UHFFFAOYSA-N
MW364.85 g/mol
LogP2.77
Rot. Bonds4

About 6-(4-chlorophenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione

6-(4-chlorophenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 118863115) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione
PubChem CID118863115
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name6-(4-chlorophenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1c(-c2ccc(Cl)cc2)sc2c1c(=O)n(CCCO)c(=O)n2C
InChIInChI=1S/C17H17ClN2O3S/c1-10-13-15(22)20(8-3-9-21)17(23)19(2)16(13)24-14(10)11-4-6-12(18)7-5-11/h4-7,21H,3,8-9H2,1-2H3
InChIKeyWQRGHSSPNYUZEW-UHFFFAOYSA-N
XLogP2.77
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(4-chlorophenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione (CID 118863115) is 6-(4-chlorophenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-chlorophenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-chlorophenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione is Cc1c(-c2ccc(Cl)cc2)sc2c1c(=O)n(CCCO)c(=O)n2C.
What is the InChIKey of 6-(4-chlorophenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is WQRGHSSPNYUZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-10-13-15(22)20(8-3-9-21)17(23)19(2)16(13)24-14(10)11-4-6-12(18)7-5-11/h4-7,21H,3,8-9H2,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
6-(4-chlorophenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 364.85 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 118863115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).