3-(2-hydroxyethyl)-2,5-dimethyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-one

C15H15N3O2S — CID 110167641

IUPAC3-(2-hydroxyethyl)-2,5-dimethyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-one
SMILESCc1c(-c2ccncc2)sc2nc(C)n(CCO)c(=O)c12
InChIInChI=1S/C15H15N3O2S/c1-9-12-14(17-10(2)18(7-8-19)15(12)20)21-13(9)11-3-5-16-6-4-11/h3-6,19H,7-8H2,1-2H3
InChIKeyVHQYVUWXJMHGMX-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.13
Rot. Bonds3

About 3-(2-hydroxyethyl)-2,5-dimethyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-one

3-(2-hydroxyethyl)-2,5-dimethyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-one (PubChem CID 110167641) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-2,5-dimethyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-2,5-dimethyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-one
PubChem CID110167641
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name3-(2-hydroxyethyl)-2,5-dimethyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-one
SMILESCc1c(-c2ccncc2)sc2nc(C)n(CCO)c(=O)c12
InChIInChI=1S/C15H15N3O2S/c1-9-12-14(17-10(2)18(7-8-19)15(12)20)21-13(9)11-3-5-16-6-4-11/h3-6,19H,7-8H2,1-2H3
InChIKeyVHQYVUWXJMHGMX-UHFFFAOYSA-N
XLogP2.13
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-2,5-dimethyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-2,5-dimethyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-one (CID 110167641) is 3-(2-hydroxyethyl)-2,5-dimethyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-2,5-dimethyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-2,5-dimethyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-one is Cc1c(-c2ccncc2)sc2nc(C)n(CCO)c(=O)c12.
What is the InChIKey of 3-(2-hydroxyethyl)-2,5-dimethyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is VHQYVUWXJMHGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-9-12-14(17-10(2)18(7-8-19)15(12)20)21-13(9)11-3-5-16-6-4-11/h3-6,19H,7-8H2,1-2H3.
What are the key properties of 3-(2-hydroxyethyl)-2,5-dimethyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-one?
3-(2-hydroxyethyl)-2,5-dimethyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 301.37 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-2,5-dimethyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 110167641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).