N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylthiophene-2-carboxamide

C15H20N4O3S — CID 8933620

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylthiophene-2-carboxamide
SMILESCCCCn1c(N)c(N(CC)C(=O)c2cccs2)c(=O)[nH]c1=O
InChIInChI=1S/C15H20N4O3S/c1-3-5-8-19-12(16)11(13(20)17-15(19)22)18(4-2)14(21)10-7-6-9-23-10/h6-7,9H,3-5,8,16H2,1-2H3,(H,17,20,22)
InChIKeyLUHDUKCBLLVAMP-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.65
Rot. Bonds6

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylthiophene-2-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylthiophene-2-carboxamide (PubChem CID 8933620) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylthiophene-2-carboxamide
PubChem CID8933620
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylthiophene-2-carboxamide
SMILESCCCCn1c(N)c(N(CC)C(=O)c2cccs2)c(=O)[nH]c1=O
InChIInChI=1S/C15H20N4O3S/c1-3-5-8-19-12(16)11(13(20)17-15(19)22)18(4-2)14(21)10-7-6-9-23-10/h6-7,9H,3-5,8,16H2,1-2H3,(H,17,20,22)
InChIKeyLUHDUKCBLLVAMP-UHFFFAOYSA-N
XLogP1.65
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylthiophene-2-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylthiophene-2-carboxamide (CID 8933620) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylthiophene-2-carboxamide is CCCCn1c(N)c(N(CC)C(=O)c2cccs2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylthiophene-2-carboxamide?
The InChIKey is LUHDUKCBLLVAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-3-5-8-19-12(16)11(13(20)17-15(19)22)18(4-2)14(21)10-7-6-9-23-10/h6-7,9H,3-5,8,16H2,1-2H3,(H,17,20,22).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylthiophene-2-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylthiophene-2-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 8933620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).