methyl 2-(5-naphthalen-2-yl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate

C19H14N2O3S — CID 1404457

IUPACmethyl 2-(5-naphthalen-2-yl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
SMILESCOC(=O)Cn1cnc2scc(-c3ccc4ccccc4c3)c2c1=O
InChIInChI=1S/C19H14N2O3S/c1-24-16(22)9-21-11-20-18-17(19(21)23)15(10-25-18)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,10-11H,9H2,1H3
InChIKeyDICVVQOSLNYEGM-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.45
Rot. Bonds3

About methyl 2-(5-naphthalen-2-yl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate

methyl 2-(5-naphthalen-2-yl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate (PubChem CID 1404457) has the molecular formula C19H14N2O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is methyl 2-(5-naphthalen-2-yl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-naphthalen-2-yl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
PubChem CID1404457
Molecular FormulaC19H14N2O3S
Molecular Weight350.40 g/mol
Exact Mass350.07
IUPAC Namemethyl 2-(5-naphthalen-2-yl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
SMILESCOC(=O)Cn1cnc2scc(-c3ccc4ccccc4c3)c2c1=O
InChIInChI=1S/C19H14N2O3S/c1-24-16(22)9-21-11-20-18-17(19(21)23)15(10-25-18)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,10-11H,9H2,1H3
InChIKeyDICVVQOSLNYEGM-UHFFFAOYSA-N
XLogP3.45
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-naphthalen-2-yl-2-(5-naphthalen-2-yl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 40913536
propan-2-yl 3-[[2-(5-naphthalen-2-yl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate
CID 40883667
N-(4-anilinophenyl)-2-[5-(3,4-dimethoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 110659856
propan-2-yl 2-[4-oxo-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-3-yl]acetate
CID 1404740
2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 731332
5-(4-ethoxyphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one
CID 7708384
5-(3,4-dimethylphenyl)-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 20999134
2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-naphthalen-1-ylacetamide
CID 992980
3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 23408966
N-(4-chlorophenyl)-2-[5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 1189430
butyl 2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate
CID 7629225
N-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 992632

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-naphthalen-2-yl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate?
The IUPAC name of methyl 2-(5-naphthalen-2-yl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate (CID 1404457) is methyl 2-(5-naphthalen-2-yl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate.
What is the SMILES notation for methyl 2-(5-naphthalen-2-yl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate?
The canonical SMILES for methyl 2-(5-naphthalen-2-yl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate is COC(=O)Cn1cnc2scc(-c3ccc4ccccc4c3)c2c1=O.
What is the InChIKey of methyl 2-(5-naphthalen-2-yl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate?
The InChIKey is DICVVQOSLNYEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3S/c1-24-16(22)9-21-11-20-18-17(19(21)23)15(10-25-18)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,10-11H,9H2,1H3.
What are the key properties of methyl 2-(5-naphthalen-2-yl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate?
methyl 2-(5-naphthalen-2-yl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate has a molecular weight of 350.40 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-naphthalen-2-yl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate is sourced from PubChem (CID 1404457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).