2-[1-(2-methoxyethyl)imidazol-4-yl]-7-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C17H15N5O2S — CID 163986507

IUPAC2-[1-(2-methoxyethyl)imidazol-4-yl]-7-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCOCCn1cnc(-c2nc3c(-c4ccccn4)csc3c(=O)[nH]2)c1
InChIInChI=1S/C17H15N5O2S/c1-24-7-6-22-8-13(19-10-22)16-20-14-11(12-4-2-3-5-18-12)9-25-15(14)17(23)21-16/h2-5,8-10H,6-7H2,1H3,(H,20,21,23)
InChIKeyTWVJFUIQOXUUPW-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.56
Rot. Bonds5

About 2-[1-(2-methoxyethyl)imidazol-4-yl]-7-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

2-[1-(2-methoxyethyl)imidazol-4-yl]-7-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 163986507) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)imidazol-4-yl]-7-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)imidazol-4-yl]-7-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID163986507
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name2-[1-(2-methoxyethyl)imidazol-4-yl]-7-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCOCCn1cnc(-c2nc3c(-c4ccccn4)csc3c(=O)[nH]2)c1
InChIInChI=1S/C17H15N5O2S/c1-24-7-6-22-8-13(19-10-22)16-20-14-11(12-4-2-3-5-18-12)9-25-15(14)17(23)21-16/h2-5,8-10H,6-7H2,1H3,(H,20,21,23)
InChIKeyTWVJFUIQOXUUPW-UHFFFAOYSA-N
XLogP2.56
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-(2-methoxyethyl)imidazol-4-yl]-7-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

7-(4-methoxy-2,5-dimethylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429786
7-[4-amino-3-(methylamino)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 142506735
7-(2,4-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429806
N-(2-hydroxyethyl)-N-[2-(2-methoxyethoxy)ethyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide
CID 166559533
7-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429426
ethane;7-[4-(oxolan-3-yloxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 142506738
7-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429613
4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide
CID 137223319
7-piperidin-1-ium-4-yl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 147185081
5-(2-methoxy-5-methylphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889030
7-[4-(2-methoxy-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 162000609
7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 159869922

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)imidazol-4-yl]-7-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[1-(2-methoxyethyl)imidazol-4-yl]-7-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 163986507) is 2-[1-(2-methoxyethyl)imidazol-4-yl]-7-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[1-(2-methoxyethyl)imidazol-4-yl]-7-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[1-(2-methoxyethyl)imidazol-4-yl]-7-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is COCCn1cnc(-c2nc3c(-c4ccccn4)csc3c(=O)[nH]2)c1.
What is the InChIKey of 2-[1-(2-methoxyethyl)imidazol-4-yl]-7-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is TWVJFUIQOXUUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-24-7-6-22-8-13(19-10-22)16-20-14-11(12-4-2-3-5-18-12)9-25-15(14)17(23)21-16/h2-5,8-10H,6-7H2,1H3,(H,20,21,23).
What are the key properties of 2-[1-(2-methoxyethyl)imidazol-4-yl]-7-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
2-[1-(2-methoxyethyl)imidazol-4-yl]-7-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 353.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)imidazol-4-yl]-7-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 163986507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).