3-ethyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione

C16H16N2O2S — CID 6486274

IUPAC3-ethyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)c2sccc2n(Cc2ccc(C)cc2)c1=O
InChIInChI=1S/C16H16N2O2S/c1-3-17-15(19)14-13(8-9-21-14)18(16(17)20)10-12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3
InChIKeyTYSJVUNAKYECQJ-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.60
Rot. Bonds3

About 3-ethyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione

3-ethyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 6486274) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-ethyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID6486274
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name3-ethyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)c2sccc2n(Cc2ccc(C)cc2)c1=O
InChIInChI=1S/C16H16N2O2S/c1-3-17-15(19)14-13(8-9-21-14)18(16(17)20)10-12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3
InChIKeyTYSJVUNAKYECQJ-UHFFFAOYSA-N
XLogP2.60
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,5-dimethylphenyl)methyl]-3-ethylthieno[3,2-d]pyrimidine-2,4-dione
CID 6486275
3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 22428041
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3-ethylthieno[3,2-d]pyrimidine-2,4-dione
CID 66502625
N-methyl-4-[[1-[(4-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]methyl]cyclohexane-1-carboxamide
CID 8721678
3-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 46246393
4-[[1-[(4-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]methyl]-N-propylcyclohexane-1-carboxamide
CID 16875747
4-[1-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-[(4-methylphenyl)methyl]butanamide
CID 22428126
1-benzyl-3-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 53331547
4-[[1-[(4-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]methyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 18592243
1-[(4-chlorophenyl)methyl]-3-(3-methoxypropyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 6486350
2-[2,4-dioxo-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 18592412
3-(4-chlorophenyl)-1-ethylthieno[3,2-d]pyrimidine-2,4-dione
CID 53331620

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-ethyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione (CID 6486274) is 3-ethyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-ethyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-ethyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione is CCn1c(=O)c2sccc2n(Cc2ccc(C)cc2)c1=O.
What is the InChIKey of 3-ethyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is TYSJVUNAKYECQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-3-17-15(19)14-13(8-9-21-14)18(16(17)20)10-12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3.
What are the key properties of 3-ethyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
3-ethyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 300.38 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 6486274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).