3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]thieno[3,2-d]pyrimidin-4-one

C16H15ClN2O3S — CID 24654149

IUPAC3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1CC(O)COCc1ccccc1Cl
InChIInChI=1S/C16H15ClN2O3S/c17-13-4-2-1-3-11(13)8-22-9-12(20)7-19-10-18-14-5-6-23-15(14)16(19)21/h1-6,10,12,20H,7-9H2
InChIKeyKHKFICVWAXHICC-UHFFFAOYSA-N
MW350.83 g/mol
LogP2.69
Rot. Bonds6

About 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]thieno[3,2-d]pyrimidin-4-one

3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 24654149) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID24654149
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC Name3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1CC(O)COCc1ccccc1Cl
InChIInChI=1S/C16H15ClN2O3S/c17-13-4-2-1-3-11(13)8-22-9-12(20)7-19-10-18-14-5-6-23-15(14)16(19)21/h1-6,10,12,20H,7-9H2
InChIKeyKHKFICVWAXHICC-UHFFFAOYSA-N
XLogP2.69
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]thieno[3,2-d]pyrimidin-4-one (CID 24654149) is 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]thieno[3,2-d]pyrimidin-4-one is O=c1c2sccc2ncn1CC(O)COCc1ccccc1Cl.
What is the InChIKey of 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is KHKFICVWAXHICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c17-13-4-2-1-3-11(13)8-22-9-12(20)7-19-10-18-14-5-6-23-15(14)16(19)21/h1-6,10,12,20H,7-9H2.
What are the key properties of 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]thieno[3,2-d]pyrimidin-4-one?
3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 350.83 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 24654149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).