6-(4-chlorophenyl)-3-[6-(2-hydroxyethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one

C19H14ClN3O3S — CID 16718612

IUPAC6-(4-chlorophenyl)-3-[6-(2-hydroxyethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc(OCCO)nc1
InChIInChI=1S/C19H14ClN3O3S/c20-13-3-1-12(2-4-13)16-9-15-18(27-16)19(25)23(11-22-15)14-5-6-17(21-10-14)26-8-7-24/h1-6,9-11,24H,7-8H2
InChIKeyIGMXXPWLLCPVLN-UHFFFAOYSA-N
MW399.86 g/mol
LogP3.53
Rot. Bonds5

About 6-(4-chlorophenyl)-3-[6-(2-hydroxyethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one

6-(4-chlorophenyl)-3-[6-(2-hydroxyethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 16718612) has the molecular formula C19H14ClN3O3S and a molecular weight of 399.86 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-[6-(2-hydroxyethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-[6-(2-hydroxyethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID16718612
Molecular FormulaC19H14ClN3O3S
Molecular Weight399.86 g/mol
Exact Mass399.04
IUPAC Name6-(4-chlorophenyl)-3-[6-(2-hydroxyethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc(OCCO)nc1
InChIInChI=1S/C19H14ClN3O3S/c20-13-3-1-12(2-4-13)16-9-15-18(27-16)19(25)23(11-22-15)14-5-6-17(21-10-14)26-8-7-24/h1-6,9-11,24H,7-8H2
InChIKeyIGMXXPWLLCPVLN-UHFFFAOYSA-N
XLogP3.53
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-[6-(2-hydroxyethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(4-chlorophenyl)-3-[6-(2-hydroxyethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one (CID 16718612) is 6-(4-chlorophenyl)-3-[6-(2-hydroxyethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-3-[6-(2-hydroxyethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-3-[6-(2-hydroxyethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one is O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc(OCCO)nc1.
What is the InChIKey of 6-(4-chlorophenyl)-3-[6-(2-hydroxyethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is IGMXXPWLLCPVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3S/c20-13-3-1-12(2-4-13)16-9-15-18(27-16)19(25)23(11-22-15)14-5-6-17(21-10-14)26-8-7-24/h1-6,9-11,24H,7-8H2.
What are the key properties of 6-(4-chlorophenyl)-3-[6-(2-hydroxyethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one?
6-(4-chlorophenyl)-3-[6-(2-hydroxyethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 399.86 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-[6-(2-hydroxyethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 16718612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).