N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,4-dichlorophenyl)-N-(3-methylbutyl)acetamide

C24H26Cl2N4O3 — CID 2080004

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,4-dichlorophenyl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H26Cl2N4O3/c1-15(2)10-11-29(20(31)13-17-8-9-18(25)19(26)12-17)21-22(27)30(24(33)28-23(21)32)14-16-6-4-3-5-7-16/h3-9,12,15H,10-11,13-14,27H2,1-2H3,(H,28,32,33)
InChIKeyWTVYPWZYTWYOCC-UHFFFAOYSA-N
MW489.40 g/mol
LogP4.10
Rot. Bonds8

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,4-dichlorophenyl)-N-(3-methylbutyl)acetamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,4-dichlorophenyl)-N-(3-methylbutyl)acetamide (PubChem CID 2080004) has the molecular formula C24H26Cl2N4O3 and a molecular weight of 489.40 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,4-dichlorophenyl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,4-dichlorophenyl)-N-(3-methylbutyl)acetamide
PubChem CID2080004
Molecular FormulaC24H26Cl2N4O3
Molecular Weight489.40 g/mol
Exact Mass488.14
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,4-dichlorophenyl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H26Cl2N4O3/c1-15(2)10-11-29(20(31)13-17-8-9-18(25)19(26)12-17)21-22(27)30(24(33)28-23(21)32)14-16-6-4-3-5-7-16/h3-9,12,15H,10-11,13-14,27H2,1-2H3,(H,28,32,33)
InChIKeyWTVYPWZYTWYOCC-UHFFFAOYSA-N
XLogP4.10
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.40
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,4-dichlorophenyl)-N-(3-methylbutyl)acetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,4-dichlorophenyl)-N-(3-methylbutyl)acetamide (CID 2080004) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,4-dichlorophenyl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,4-dichlorophenyl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,4-dichlorophenyl)-N-(3-methylbutyl)acetamide is CC(C)CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,4-dichlorophenyl)-N-(3-methylbutyl)acetamide?
The InChIKey is WTVYPWZYTWYOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4O3/c1-15(2)10-11-29(20(31)13-17-8-9-18(25)19(26)12-17)21-22(27)30(24(33)28-23(21)32)14-16-6-4-3-5-7-16/h3-9,12,15H,10-11,13-14,27H2,1-2H3,(H,28,32,33).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,4-dichlorophenyl)-N-(3-methylbutyl)acetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,4-dichlorophenyl)-N-(3-methylbutyl)acetamide has a molecular weight of 489.40 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,4-dichlorophenyl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 2080004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).