3-[(2,4-dimethoxyphenyl)methoxy]-1H-thieno[2,3-d]pyrimidine-2,4-dione

C15H14N2O5S — CID 67202265

IUPAC3-[(2,4-dimethoxyphenyl)methoxy]-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(COn2c(=O)[nH]c3sccc3c2=O)c(OC)c1
InChIInChI=1S/C15H14N2O5S/c1-20-10-4-3-9(12(7-10)21-2)8-22-17-14(18)11-5-6-23-13(11)16-15(17)19/h3-7H,8H2,1-2H3,(H,16,19)
InChIKeyRLWBTLNMESOBLE-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.40
Rot. Bonds5

About 3-[(2,4-dimethoxyphenyl)methoxy]-1H-thieno[2,3-d]pyrimidine-2,4-dione

3-[(2,4-dimethoxyphenyl)methoxy]-1H-thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 67202265) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is 3-[(2,4-dimethoxyphenyl)methoxy]-1H-thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(2,4-dimethoxyphenyl)methoxy]-1H-thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID67202265
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Name3-[(2,4-dimethoxyphenyl)methoxy]-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(COn2c(=O)[nH]c3sccc3c2=O)c(OC)c1
InChIInChI=1S/C15H14N2O5S/c1-20-10-4-3-9(12(7-10)21-2)8-22-17-14(18)11-5-6-23-13(11)16-15(17)19/h3-7H,8H2,1-2H3,(H,16,19)
InChIKeyRLWBTLNMESOBLE-UHFFFAOYSA-N
XLogP1.40
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 58024740
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CID 162343397
3-[(2,4-dimethoxyphenyl)methyl]-1H-quinazoline-2,4-dione
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2-[(2,4-dimethoxyphenyl)methyl]-1,2-benzoselenazol-3-one
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CID 170981715
6,9-dimethoxyphenanthro[9,10-b]thiophene
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CID 91883521
1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one
CID 154478411
N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethoxyphenyl)methoxy]-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[(2,4-dimethoxyphenyl)methoxy]-1H-thieno[2,3-d]pyrimidine-2,4-dione (CID 67202265) is 3-[(2,4-dimethoxyphenyl)methoxy]-1H-thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(2,4-dimethoxyphenyl)methoxy]-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[(2,4-dimethoxyphenyl)methoxy]-1H-thieno[2,3-d]pyrimidine-2,4-dione is COc1ccc(COn2c(=O)[nH]c3sccc3c2=O)c(OC)c1.
What is the InChIKey of 3-[(2,4-dimethoxyphenyl)methoxy]-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is RLWBTLNMESOBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-20-10-4-3-9(12(7-10)21-2)8-22-17-14(18)11-5-6-23-13(11)16-15(17)19/h3-7H,8H2,1-2H3,(H,16,19).
What are the key properties of 3-[(2,4-dimethoxyphenyl)methoxy]-1H-thieno[2,3-d]pyrimidine-2,4-dione?
3-[(2,4-dimethoxyphenyl)methoxy]-1H-thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 334.35 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethoxyphenyl)methoxy]-1H-thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 67202265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).