2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide

C18H26N6O4S — CID 24595595

IUPAC2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESCCCCn1c(N)c(N(CC)CC(=O)NC(=O)NCc2cccs2)c(=O)[nH]c1=O
InChIInChI=1S/C18H26N6O4S/c1-3-5-8-24-15(19)14(16(26)22-18(24)28)23(4-2)11-13(25)21-17(27)20-10-12-7-6-9-29-12/h6-7,9H,3-5,8,10-11,19H2,1-2H3,(H,22,26,28)(H2,20,21,25,27)
InChIKeyMAURZLSSYCACMP-UHFFFAOYSA-N
MW422.51 g/mol
LogP0.83
Rot. Bonds9

About 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide

2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (PubChem CID 24595595) has the molecular formula C18H26N6O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
PubChem CID24595595
Molecular FormulaC18H26N6O4S
Molecular Weight422.51 g/mol
Exact Mass422.17
IUPAC Name2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESCCCCn1c(N)c(N(CC)CC(=O)NC(=O)NCc2cccs2)c(=O)[nH]c1=O
InChIInChI=1S/C18H26N6O4S/c1-3-5-8-24-15(19)14(16(26)22-18(24)28)23(4-2)11-13(25)21-17(27)20-10-12-7-6-9-29-12/h6-7,9H,3-5,8,10-11,19H2,1-2H3,(H,22,26,28)(H2,20,21,25,27)
InChIKeyMAURZLSSYCACMP-UHFFFAOYSA-N
XLogP0.83
TPSA142.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(2-thiophen-2-ylethyl)acetamide
CID 30871118
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-thiophen-2-ylpropanamide
CID 17411815
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 18136980
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 36909911
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 34646506
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(3-fluorophenyl)acetamide
CID 18136953
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(3,5-difluorophenyl)acetamide
CID 18136988
2-(dipropylamino)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 34600944
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-benzhydryl-N-methylacetamide
CID 55498315
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 34651789
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(tert-butylcarbamoyl)acetamide
CID 55474865
6-amino-1-butyl-5-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]pyrimidine-2,4-dione
CID 110009359

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (CID 24595595) is 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide is CCCCn1c(N)c(N(CC)CC(=O)NC(=O)NCc2cccs2)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The InChIKey is MAURZLSSYCACMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O4S/c1-3-5-8-24-15(19)14(16(26)22-18(24)28)23(4-2)11-13(25)21-17(27)20-10-12-7-6-9-29-12/h6-7,9H,3-5,8,10-11,19H2,1-2H3,(H,22,26,28)(H2,20,21,25,27).
What are the key properties of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide has a molecular weight of 422.51 g/mol, XLogP of 0.83, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 24595595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).