5-amino-1-ethyl-6-(2-methoxybenzoyl)thieno[2,3-d]pyrimidine-2,4-dione

C16H15N3O4S — CID 2123091

IUPAC5-amino-1-ethyl-6-(2-methoxybenzoyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c(=O)c2c(N)c(C(=O)c3ccccc3OC)sc21
InChIInChI=1S/C16H15N3O4S/c1-3-19-15-10(14(21)18-16(19)22)11(17)13(24-15)12(20)8-6-4-5-7-9(8)23-2/h4-7H,3,17H2,1-2H3,(H,18,21,22)
InChIKeyNDRCUJGTMKHWMY-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.59
Rot. Bonds4

About 5-amino-1-ethyl-6-(2-methoxybenzoyl)thieno[2,3-d]pyrimidine-2,4-dione

5-amino-1-ethyl-6-(2-methoxybenzoyl)thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 2123091) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is 5-amino-1-ethyl-6-(2-methoxybenzoyl)thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-ethyl-6-(2-methoxybenzoyl)thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID2123091
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name5-amino-1-ethyl-6-(2-methoxybenzoyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c(=O)c2c(N)c(C(=O)c3ccccc3OC)sc21
InChIInChI=1S/C16H15N3O4S/c1-3-19-15-10(14(21)18-16(19)22)11(17)13(24-15)12(20)8-6-4-5-7-9(8)23-2/h4-7H,3,17H2,1-2H3,(H,18,21,22)
InChIKeyNDRCUJGTMKHWMY-UHFFFAOYSA-N
XLogP1.59
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 3-[5-amino-1-(4-methoxyphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]-3-oxopropanoate
CID 2371018
5-Amino-6-(4-methoxybenzoyl)-1-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione
CID 2444980
3-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(2-methoxybenzyl)propanamide
CID 3235634
3-[6-acetyl-3-(2,6-dimethoxybenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1,1-diethylurea
CID 44288226
3-amino-2-(2-methoxybenzoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid;hydrochloride
CID 45263632
(5R)-5-(2-methoxyphenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
CID 902447
6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3459535
ethyl 3-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2,4-dioxo-5-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 57394872
2-[(2-methoxybenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 76336359
Methyl 6-acetyl-2-(2-methoxybenzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 3415724
ethyl 3-carbamoyl-2-(4-oxo-4H-chromene-3-carboxamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate
CID 4607083
6-{2,4-Dioxo-1H,2H,3H,4H-thieno[3,2-D]pyrimidin-3-YL}-N-[(2-methoxyphenyl)methyl]hexanamide
CID 22422861

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethyl-6-(2-methoxybenzoyl)thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-ethyl-6-(2-methoxybenzoyl)thieno[2,3-d]pyrimidine-2,4-dione (CID 2123091) is 5-amino-1-ethyl-6-(2-methoxybenzoyl)thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-ethyl-6-(2-methoxybenzoyl)thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-ethyl-6-(2-methoxybenzoyl)thieno[2,3-d]pyrimidine-2,4-dione is CCn1c(=O)[nH]c(=O)c2c(N)c(C(=O)c3ccccc3OC)sc21.
What is the InChIKey of 5-amino-1-ethyl-6-(2-methoxybenzoyl)thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is NDRCUJGTMKHWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-3-19-15-10(14(21)18-16(19)22)11(17)13(24-15)12(20)8-6-4-5-7-9(8)23-2/h4-7H,3,17H2,1-2H3,(H,18,21,22).
What are the key properties of 5-amino-1-ethyl-6-(2-methoxybenzoyl)thieno[2,3-d]pyrimidine-2,4-dione?
5-amino-1-ethyl-6-(2-methoxybenzoyl)thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 345.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethyl-6-(2-methoxybenzoyl)thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2123091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).