N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide

C20H26Cl2N4O4S — CID 24979707

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)CSCc2ccc(Cl)c(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C20H26Cl2N4O4S/c1-3-4-7-26-18(23)17(19(28)24-20(26)29)25(8-9-30-2)16(27)12-31-11-13-5-6-14(21)15(22)10-13/h5-6,10H,3-4,7-9,11-12,23H2,1-2H3,(H,24,28,29)
InChIKeyFYMAZXMOYNHQON-UHFFFAOYSA-N
MW489.43 g/mol
LogP3.14
Rot. Bonds11

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide (PubChem CID 24979707) has the molecular formula C20H26Cl2N4O4S and a molecular weight of 489.43 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide
PubChem CID24979707
Molecular FormulaC20H26Cl2N4O4S
Molecular Weight489.43 g/mol
Exact Mass488.11
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)CSCc2ccc(Cl)c(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C20H26Cl2N4O4S/c1-3-4-7-26-18(23)17(19(28)24-20(26)29)25(8-9-30-2)16(27)12-31-11-13-5-6-14(21)15(22)10-13/h5-6,10H,3-4,7-9,11-12,23H2,1-2H3,(H,24,28,29)
InChIKeyFYMAZXMOYNHQON-UHFFFAOYSA-N
XLogP3.14
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide (CID 24979707) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide is CCCCn1c(N)c(N(CCOC)C(=O)CSCc2ccc(Cl)c(Cl)c2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is FYMAZXMOYNHQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N4O4S/c1-3-4-7-26-18(23)17(19(28)24-20(26)29)25(8-9-30-2)16(27)12-31-11-13-5-6-14(21)15(22)10-13/h5-6,10H,3-4,7-9,11-12,23H2,1-2H3,(H,24,28,29).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 489.43 g/mol, XLogP of 3.14, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 24979707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).