5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione

C17H16N2O3S — CID 39333147

IUPAC5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione
SMILESC=CCn1c(=O)n(C)c(=O)c2c(-c3ccc(OC)cc3)csc21
InChIInChI=1S/C17H16N2O3S/c1-4-9-19-16-14(15(20)18(2)17(19)21)13(10-23-16)11-5-7-12(22-3)8-6-11/h4-8,10H,1,9H2,2-3H3
InChIKeyATCABWWMBKBDTL-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.62
Rot. Bonds4

About 5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione

5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 39333147) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione
PubChem CID39333147
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione
SMILESC=CCn1c(=O)n(C)c(=O)c2c(-c3ccc(OC)cc3)csc21
InChIInChI=1S/C17H16N2O3S/c1-4-9-19-16-14(15(20)18(2)17(19)21)13(10-23-16)11-5-7-12(22-3)8-6-11/h4-8,10H,1,9H2,2-3H3
InChIKeyATCABWWMBKBDTL-UHFFFAOYSA-N
XLogP2.62
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione (CID 39333147) is 5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione is C=CCn1c(=O)n(C)c(=O)c2c(-c3ccc(OC)cc3)csc21.
What is the InChIKey of 5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ATCABWWMBKBDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-4-9-19-16-14(15(20)18(2)17(19)21)13(10-23-16)11-5-7-12(22-3)8-6-11/h4-8,10H,1,9H2,2-3H3.
What are the key properties of 5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione?
5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 328.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 39333147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).