6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]pyrimidine-2,4-dione

C23H26N4O3S — CID 26006311

IUPAC6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]pyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)CN2CCC[C@@H]2c2cccs2)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C23H26N4O3S/c1-2-26-22(29)20(21(24)27(23(26)30)14-16-8-4-3-5-9-16)18(28)15-25-12-6-10-17(25)19-11-7-13-31-19/h3-5,7-9,11,13,17H,2,6,10,12,14-15,24H2,1H3/t17-/m1/s1
InChIKeyHRLSOFHTHVEXSR-QGZVFWFLSA-N
MW438.55 g/mol
LogP2.74
Rot. Bonds7

About 6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]pyrimidine-2,4-dione

6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]pyrimidine-2,4-dione (PubChem CID 26006311) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]pyrimidine-2,4-dione
PubChem CID26006311
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]pyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)CN2CCC[C@@H]2c2cccs2)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C23H26N4O3S/c1-2-26-22(29)20(21(24)27(23(26)30)14-16-8-4-3-5-9-16)18(28)15-25-12-6-10-17(25)19-11-7-13-31-19/h3-5,7-9,11,13,17H,2,6,10,12,14-15,24H2,1H3/t17-/m1/s1
InChIKeyHRLSOFHTHVEXSR-QGZVFWFLSA-N
XLogP2.74
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]pyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-methylpiperidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 2105210
[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-cyclooctylazanium
CID 9265608
6-amino-5-[2-(2-cyclobutylpiperidin-1-yl)acetyl]-3-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 169167939
(2R)-1-[2-[4-amino-1-ethyl-3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide
CID 169167858
6-amino-1-benzyl-3-ethyl-5-[2-(N-methylanilino)acetyl]pyrimidine-2,4-dione
CID 2685172
6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;N-(2,2-dimethylpropyl)formamide
CID 169167959
6-amino-1-benzyl-5-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]-3-ethylpyrimidine-2,4-dione
CID 8931097
6-amino-1-benzyl-5-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]-3-ethylpyrimidine-2,4-dione
CID 2551364
ethyl 2-(N-[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]anilino)acetate
CID 47014049
6-amino-1-benzyl-3-ethyl-5-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]pyrimidine-2,4-dione
CID 55412268
6-amino-1-benzyl-3-ethyl-5-[2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 55996904
6-amino-5-[2-[2-[amino(hydroxy)methyl]piperidin-1-yl]acetyl]-1,3-bis[(4-methylphenyl)methyl]pyrimidine-2,4-dione
CID 170196961

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]pyrimidine-2,4-dione (CID 26006311) is 6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]pyrimidine-2,4-dione is CCn1c(=O)c(C(=O)CN2CCC[C@@H]2c2cccs2)c(N)n(Cc2ccccc2)c1=O.
What is the InChIKey of 6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]pyrimidine-2,4-dione?
The InChIKey is HRLSOFHTHVEXSR-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-2-26-22(29)20(21(24)27(23(26)30)14-16-8-4-3-5-9-16)18(28)15-25-12-6-10-17(25)19-11-7-13-31-19/h3-5,7-9,11,13,17H,2,6,10,12,14-15,24H2,1H3/t17-/m1/s1.
What are the key properties of 6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]pyrimidine-2,4-dione?
6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]pyrimidine-2,4-dione has a molecular weight of 438.55 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 26006311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).