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

C20H15N3O3S — CID 28899206

IUPAC2-(6-methyl-4-oxo-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
SMILESCc1sc2nc(-c3cccnc3)n(CC(=O)O)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C20H15N3O3S/c1-12-16(13-6-3-2-4-7-13)17-19(27-12)22-18(14-8-5-9-21-10-14)23(20(17)26)11-15(24)25/h2-10H,11H2,1H3,(H,24,25)
InChIKeyFFQNDLFZEPHDGA-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.58
Rot. Bonds4

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

2-(6-methyl-4-oxo-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid (PubChem CID 28899206) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is 2-(6-methyl-4-oxo-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methyl-4-oxo-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
PubChem CID28899206
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC Name2-(6-methyl-4-oxo-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
SMILESCc1sc2nc(-c3cccnc3)n(CC(=O)O)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C20H15N3O3S/c1-12-16(13-6-3-2-4-7-13)17-19(27-12)22-18(14-8-5-9-21-10-14)23(20(17)26)11-15(24)25/h2-10H,11H2,1H3,(H,24,25)
InChIKeyFFQNDLFZEPHDGA-UHFFFAOYSA-N
XLogP3.58
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-(6-methyl-4-oxo-5-phenyl-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 28898456
2-(6-methyl-4-oxo-2-pyridin-2-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 28899161
2-[5-(3,4-dichlorophenyl)-2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid
CID 28898408
2-(4-oxo-2,5-diphenylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 28898547
2-[5-(4-chloro-3-methylphenyl)-2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid
CID 28898384
3-(2-ethyl-6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-2,2-dimethylpropanoic acid
CID 28897756
2-[5-(4-fluorophenyl)-2-(2-methoxyethyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid
CID 28898616
2,2-dimethyl-3-(12-oxo-10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)propanoic acid
CID 28897866
2-(2-ethyl-6-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 28898774
2-[10-(3-methylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl]acetic acid
CID 28898979
3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanoic acid
CID 9122815
3-[6-methyl-5-(4-methylphenyl)-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl]propanoic acid
CID 28900247

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-4-oxo-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid?
The IUPAC name of 2-(6-methyl-4-oxo-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid (CID 28899206) is 2-(6-methyl-4-oxo-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid.
What is the SMILES notation for 2-(6-methyl-4-oxo-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid?
The canonical SMILES for 2-(6-methyl-4-oxo-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid is Cc1sc2nc(-c3cccnc3)n(CC(=O)O)c(=O)c2c1-c1ccccc1.
What is the InChIKey of 2-(6-methyl-4-oxo-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid?
The InChIKey is FFQNDLFZEPHDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c1-12-16(13-6-3-2-4-7-13)17-19(27-12)22-18(14-8-5-9-21-10-14)23(20(17)26)11-15(24)25/h2-10H,11H2,1H3,(H,24,25).
What are the key properties of 2-(6-methyl-4-oxo-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid?
2-(6-methyl-4-oxo-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid has a molecular weight of 377.43 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4-oxo-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid is sourced from PubChem (CID 28899206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).