3-[(3-ethoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione

C15H14N2O3S — CID 45030947

IUPAC3-[(3-ethoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCCOc1cccc(Cn2c(=O)[nH]c3ccsc3c2=O)c1
InChIInChI=1S/C15H14N2O3S/c1-2-20-11-5-3-4-10(8-11)9-17-14(18)13-12(6-7-21-13)16-15(17)19/h3-8H,2,9H2,1H3,(H,16,19)
InChIKeyRHYXVQOETZVISL-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.20
Rot. Bonds4

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

3-[(3-ethoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 45030947) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-[(3-ethoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(3-ethoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID45030947
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name3-[(3-ethoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCCOc1cccc(Cn2c(=O)[nH]c3ccsc3c2=O)c1
InChIInChI=1S/C15H14N2O3S/c1-2-20-11-5-3-4-10(8-11)9-17-14(18)13-12(6-7-21-13)16-15(17)19/h3-8H,2,9H2,1H3,(H,16,19)
InChIKeyRHYXVQOETZVISL-UHFFFAOYSA-N
XLogP2.20
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 45030945
N-butan-2-yl-2-[3-[(3-ethoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46923566
N-(3,5-dimethoxyphenyl)-2-[3-[(3-ethoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46923552
3-(2,2-dimethoxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 56686615
3-(cyclohexylmethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 56686607
ethyl 5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)pentanoate
CID 22449763
3-(2-hydroxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 2732863
3-[2-(4-methylphenyl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 56771750
3-[3-(dimethylamino)propyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 56686617
3-benzyl-6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 143665036
2-sulfanylidene-3-(thiophen-3-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one
CID 63246577
N-(3,4-dichlorophenyl)-4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]benzamide
CID 15944830

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[(3-ethoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 45030947) is 3-[(3-ethoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(3-ethoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[(3-ethoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione is CCOc1cccc(Cn2c(=O)[nH]c3ccsc3c2=O)c1.
What is the InChIKey of 3-[(3-ethoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is RHYXVQOETZVISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-2-20-11-5-3-4-10(8-11)9-17-14(18)13-12(6-7-21-13)16-15(17)19/h3-8H,2,9H2,1H3,(H,16,19).
What are the key properties of 3-[(3-ethoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
3-[(3-ethoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 302.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 45030947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).