2-(6-methyl-4-oxo-2-pyridin-2-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid

C18H13N3O3S2 — CID 28899161

IUPAC2-(6-methyl-4-oxo-2-pyridin-2-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
SMILESCc1sc2nc(-c3ccccn3)n(CC(=O)O)c(=O)c2c1-c1cccs1
InChIInChI=1S/C18H13N3O3S2/c1-10-14(12-6-4-8-25-12)15-17(26-10)20-16(11-5-2-3-7-19-11)21(18(15)24)9-13(22)23/h2-8H,9H2,1H3,(H,22,23)
InChIKeyUDOUCJMQORJKBP-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.64
Rot. Bonds4

About 2-(6-methyl-4-oxo-2-pyridin-2-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid

2-(6-methyl-4-oxo-2-pyridin-2-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid (PubChem CID 28899161) has the molecular formula C18H13N3O3S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-(6-methyl-4-oxo-2-pyridin-2-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methyl-4-oxo-2-pyridin-2-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
PubChem CID28899161
Molecular FormulaC18H13N3O3S2
Molecular Weight383.45 g/mol
Exact Mass383.04
IUPAC Name2-(6-methyl-4-oxo-2-pyridin-2-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
SMILESCc1sc2nc(-c3ccccn3)n(CC(=O)O)c(=O)c2c1-c1cccs1
InChIInChI=1S/C18H13N3O3S2/c1-10-14(12-6-4-8-25-12)15-17(26-10)20-16(11-5-2-3-7-19-11)21(18(15)24)9-13(22)23/h2-8H,9H2,1H3,(H,22,23)
InChIKeyUDOUCJMQORJKBP-UHFFFAOYSA-N
XLogP3.64
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-ethyl-6-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 28898774
6-methyl-2-pyridin-2-yl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28888998
2-(6-methyl-4-oxo-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 28899206
2-(4-oxo-2-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 28898565
2-(4,5-dimethyl-2-pyridin-2-ylimidazol-1-yl)acetic acid
CID 45157060
2-(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 2513473
2-(6-methyl-4-oxo-5-phenyl-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 28898456
2-(4-oxo-2-propan-2-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 28898499
2-[5-(3,4-dichlorophenyl)-2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid
CID 28898408
2,2-dimethyl-3-[(6-methyl-4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid
CID 28897942
2-[2-[(2-methoxyphenyl)methyl]-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid
CID 28899341
2-(4-oxo-2,5-diphenylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 28898547

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-4-oxo-2-pyridin-2-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid?
The IUPAC name of 2-(6-methyl-4-oxo-2-pyridin-2-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid (CID 28899161) is 2-(6-methyl-4-oxo-2-pyridin-2-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid.
What is the SMILES notation for 2-(6-methyl-4-oxo-2-pyridin-2-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid?
The canonical SMILES for 2-(6-methyl-4-oxo-2-pyridin-2-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid is Cc1sc2nc(-c3ccccn3)n(CC(=O)O)c(=O)c2c1-c1cccs1.
What is the InChIKey of 2-(6-methyl-4-oxo-2-pyridin-2-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid?
The InChIKey is UDOUCJMQORJKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S2/c1-10-14(12-6-4-8-25-12)15-17(26-10)20-16(11-5-2-3-7-19-11)21(18(15)24)9-13(22)23/h2-8H,9H2,1H3,(H,22,23).
What are the key properties of 2-(6-methyl-4-oxo-2-pyridin-2-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid?
2-(6-methyl-4-oxo-2-pyridin-2-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid has a molecular weight of 383.45 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4-oxo-2-pyridin-2-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid is sourced from PubChem (CID 28899161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).