7-[(4-methoxyphenyl)methoxy]-1,3,6-trimethylthieno[3,2-d]pyrimidine-2,4-dione

C17H18N2O4S — CID 10521512

IUPAC7-[(4-methoxyphenyl)methoxy]-1,3,6-trimethylthieno[3,2-d]pyrimidine-2,4-dione
SMILESCOc1ccc(COc2c(C)sc3c(=O)n(C)c(=O)n(C)c23)cc1
InChIInChI=1S/C17H18N2O4S/c1-10-14(23-9-11-5-7-12(22-4)8-6-11)13-15(24-10)16(20)19(3)17(21)18(13)2/h5-8H,9H2,1-4H3
InChIKeyZSNRTHJBUIXBKU-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.19
Rot. Bonds4

About 7-[(4-methoxyphenyl)methoxy]-1,3,6-trimethylthieno[3,2-d]pyrimidine-2,4-dione

7-[(4-methoxyphenyl)methoxy]-1,3,6-trimethylthieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 10521512) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)methoxy]-1,3,6-trimethylthieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-[(4-methoxyphenyl)methoxy]-1,3,6-trimethylthieno[3,2-d]pyrimidine-2,4-dione
PubChem CID10521512
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name7-[(4-methoxyphenyl)methoxy]-1,3,6-trimethylthieno[3,2-d]pyrimidine-2,4-dione
SMILESCOc1ccc(COc2c(C)sc3c(=O)n(C)c(=O)n(C)c23)cc1
InChIInChI=1S/C17H18N2O4S/c1-10-14(23-9-11-5-7-12(22-4)8-6-11)13-15(24-10)16(20)19(3)17(21)18(13)2/h5-8H,9H2,1-4H3
InChIKeyZSNRTHJBUIXBKU-UHFFFAOYSA-N
XLogP2.19
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyphenyl)methoxy]-1,3,6-trimethylthieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 7-[(4-methoxyphenyl)methoxy]-1,3,6-trimethylthieno[3,2-d]pyrimidine-2,4-dione (CID 10521512) is 7-[(4-methoxyphenyl)methoxy]-1,3,6-trimethylthieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-[(4-methoxyphenyl)methoxy]-1,3,6-trimethylthieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-[(4-methoxyphenyl)methoxy]-1,3,6-trimethylthieno[3,2-d]pyrimidine-2,4-dione is COc1ccc(COc2c(C)sc3c(=O)n(C)c(=O)n(C)c23)cc1.
What is the InChIKey of 7-[(4-methoxyphenyl)methoxy]-1,3,6-trimethylthieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is ZSNRTHJBUIXBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-10-14(23-9-11-5-7-12(22-4)8-6-11)13-15(24-10)16(20)19(3)17(21)18(13)2/h5-8H,9H2,1-4H3.
What are the key properties of 7-[(4-methoxyphenyl)methoxy]-1,3,6-trimethylthieno[3,2-d]pyrimidine-2,4-dione?
7-[(4-methoxyphenyl)methoxy]-1,3,6-trimethylthieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 346.41 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxyphenyl)methoxy]-1,3,6-trimethylthieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 10521512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).