N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C24H33N5O4 — CID 36669689

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCCCCN(C(=O)c1cccc(CN2CCCC2=O)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H33N5O4/c1-4-5-12-28(20-21(25)29(14-16(2)3)24(33)26-22(20)31)23(32)18-9-6-8-17(13-18)15-27-11-7-10-19(27)30/h6,8-9,13,16H,4-5,7,10-12,14-15,25H2,1-3H3,(H,26,31,33)
InChIKeyHRWUKTYONXMJAX-UHFFFAOYSA-N
MW455.56 g/mol
LogP2.34
Rot. Bonds9

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 36669689) has the molecular formula C24H33N5O4 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID36669689
Molecular FormulaC24H33N5O4
Molecular Weight455.56 g/mol
Exact Mass455.25
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCCCCN(C(=O)c1cccc(CN2CCCC2=O)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H33N5O4/c1-4-5-12-28(20-21(25)29(14-16(2)3)24(33)26-22(20)31)23(32)18-9-6-8-17(13-18)15-27-11-7-10-19(27)30/h6,8-9,13,16H,4-5,7,10-12,14-15,25H2,1-3H3,(H,26,31,33)
InChIKeyHRWUKTYONXMJAX-UHFFFAOYSA-N
XLogP2.34
TPSA121.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylnaphthalene-2-carboxamide
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N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-1,3-benzodioxole-5-carboxamide
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CID 42999835
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-phenylacetamide
CID 4825571
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-1-ethylbenzotriazole-5-carboxamide
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N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-chlorobenzamide
CID 4791007
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N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 24818202
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 25162791
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-1-(3-chlorophenyl)pyrazole-4-carboxamide
CID 55874513
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-1-phenylpyrazole-4-carboxamide
CID 55413295

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 36669689) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is CCCCN(C(=O)c1cccc(CN2CCCC2=O)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is HRWUKTYONXMJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4/c1-4-5-12-28(20-21(25)29(14-16(2)3)24(33)26-22(20)31)23(32)18-9-6-8-17(13-18)15-27-11-7-10-19(27)30/h6,8-9,13,16H,4-5,7,10-12,14-15,25H2,1-3H3,(H,26,31,33).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 455.56 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 36669689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).