N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-(2-oxopyrrolidin-1-yl)benzamide

C22H29N5O4 — CID 25162791

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCCCN(C(=O)c1ccc(N2CCCC2=O)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C22H29N5O4/c1-3-5-13-26(18-19(23)27(12-4-2)22(31)24-20(18)29)21(30)15-8-10-16(11-9-15)25-14-6-7-17(25)28/h8-11H,3-7,12-14,23H2,1-2H3,(H,24,29,31)
InChIKeyUJYUOUOKYVAUJX-UHFFFAOYSA-N
MW427.51 g/mol
LogP2.10
Rot. Bonds8

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-(2-oxopyrrolidin-1-yl)benzamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 25162791) has the molecular formula C22H29N5O4 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID25162791
Molecular FormulaC22H29N5O4
Molecular Weight427.51 g/mol
Exact Mass427.22
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCCCN(C(=O)c1ccc(N2CCCC2=O)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C22H29N5O4/c1-3-5-13-26(18-19(23)27(12-4-2)22(31)24-20(18)29)21(30)15-8-10-16(11-9-15)25-14-6-7-17(25)28/h8-11H,3-7,12-14,23H2,1-2H3,(H,24,29,31)
InChIKeyUJYUOUOKYVAUJX-UHFFFAOYSA-N
XLogP2.10
TPSA121.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-(2-oxopyrrolidin-1-yl)benzamide (CID 25162791) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-(2-oxopyrrolidin-1-yl)benzamide is CCCCN(C(=O)c1ccc(N2CCCC2=O)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is UJYUOUOKYVAUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4/c1-3-5-13-26(18-19(23)27(12-4-2)22(31)24-20(18)29)21(30)15-8-10-16(11-9-15)25-14-6-7-17(25)28/h8-11H,3-7,12-14,23H2,1-2H3,(H,24,29,31).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-(2-oxopyrrolidin-1-yl)benzamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 427.51 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 25162791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).