5,6-dimethyl-3-(2-naphthalen-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-one

C20H18N2O2S — CID 46409402

IUPAC5,6-dimethyl-3-(2-naphthalen-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(CCOc3ccc4ccccc4c3)c(=O)c2c1C
InChIInChI=1S/C20H18N2O2S/c1-13-14(2)25-19-18(13)20(23)22(12-21-19)9-10-24-17-8-7-15-5-3-4-6-16(15)11-17/h3-8,11-12H,9-10H2,1-2H3
InChIKeyZBVMWFDDEQKXQF-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.31
Rot. Bonds4

About 5,6-dimethyl-3-(2-naphthalen-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-one

5,6-dimethyl-3-(2-naphthalen-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 46409402) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 5,6-dimethyl-3-(2-naphthalen-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-(2-naphthalen-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID46409402
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name5,6-dimethyl-3-(2-naphthalen-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(CCOc3ccc4ccccc4c3)c(=O)c2c1C
InChIInChI=1S/C20H18N2O2S/c1-13-14(2)25-19-18(13)20(23)22(12-21-19)9-10-24-17-8-7-15-5-3-4-6-16(15)11-17/h3-8,11-12H,9-10H2,1-2H3
InChIKeyZBVMWFDDEQKXQF-UHFFFAOYSA-N
XLogP4.31
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-3-[4-(4-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one
CID 7731373
3-[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 1093547
3-[2-(2,4-dichlorophenoxy)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 7629900
2-(3-chlorophenoxy)ethyl 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate
CID 31208621
3-[2-(dimethylamino)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 19245056
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-naphthalen-1-ylpropanamide
CID 16618781
3-[(2-chloroquinolin-3-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 7885759
ethyl 5-methyl-4-oxo-3-[2-(4-propoxyphenoxy)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate
CID 8535164
3-[3-(dimethylamino)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 19245042
3-(3,3-diethoxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 63628612
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-[(2-propoxynaphthalen-1-yl)methyl]propanamide
CID 24622389
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]propanamide
CID 55661375

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(2-naphthalen-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-(2-naphthalen-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-one (CID 46409402) is 5,6-dimethyl-3-(2-naphthalen-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-(2-naphthalen-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-(2-naphthalen-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-one is Cc1sc2ncn(CCOc3ccc4ccccc4c3)c(=O)c2c1C.
What is the InChIKey of 5,6-dimethyl-3-(2-naphthalen-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is ZBVMWFDDEQKXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-13-14(2)25-19-18(13)20(23)22(12-21-19)9-10-24-17-8-7-15-5-3-4-6-16(15)11-17/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 5,6-dimethyl-3-(2-naphthalen-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-one?
5,6-dimethyl-3-(2-naphthalen-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 350.44 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(2-naphthalen-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 46409402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).