N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azepan-1-yl)-N-(2-methoxyethyl)acetamide

C19H33N5O4 — CID 4855639

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azepan-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)CN2CCCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H33N5O4/c1-3-4-11-24-17(20)16(18(26)21-19(24)27)23(12-13-28-2)15(25)14-22-9-7-5-6-8-10-22/h3-14,20H2,1-2H3,(H,21,26,27)
InChIKeyUIYSCMMGPLTRIK-UHFFFAOYSA-N
MW395.50 g/mol
LogP0.77
Rot. Bonds9

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azepan-1-yl)-N-(2-methoxyethyl)acetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azepan-1-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 4855639) has the molecular formula C19H33N5O4 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azepan-1-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azepan-1-yl)-N-(2-methoxyethyl)acetamide
PubChem CID4855639
Molecular FormulaC19H33N5O4
Molecular Weight395.50 g/mol
Exact Mass395.25
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azepan-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)CN2CCCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H33N5O4/c1-3-4-11-24-17(20)16(18(26)21-19(24)27)23(12-13-28-2)15(25)14-22-9-7-5-6-8-10-22/h3-14,20H2,1-2H3,(H,21,26,27)
InChIKeyUIYSCMMGPLTRIK-UHFFFAOYSA-N
XLogP0.77
TPSA113.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azepan-1-yl)-N-(2-methoxyethyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azepan-1-yl)-N-(2-methylpropyl)acetamide
CID 2406569
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)acetamide
CID 2113288
ethyl N-(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)-N-dodecylcarbamate
CID 9977204
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azepan-1-ium-1-yl)-N-(2-methylpropyl)acetamide
CID 2406568
6-Amino-1-(2-methoxyethyl)-5-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2497425
2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl]-ethylamino]-N-tert-butylacetamide
CID 4858354
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azepan-1-ium-1-yl)-N-(2-methoxyethyl)acetamide
CID 8119198
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azepan-1-ium-1-yl)-N-ethylacetamide
CID 8432292
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azepan-1-yl)-N-ethylacetamide
CID 8432293
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azepan-1-yl)-N-cyclopentylacetamide
CID 8432319
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-morpholin-4-ylacetamide
CID 8434463
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-morpholin-4-ylacetamide
CID 8542278

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azepan-1-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azepan-1-yl)-N-(2-methoxyethyl)acetamide (CID 4855639) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azepan-1-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azepan-1-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azepan-1-yl)-N-(2-methoxyethyl)acetamide is CCCCn1c(N)c(N(CCOC)C(=O)CN2CCCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azepan-1-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is UIYSCMMGPLTRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O4/c1-3-4-11-24-17(20)16(18(26)21-19(24)27)23(12-13-28-2)15(25)14-22-9-7-5-6-8-10-22/h3-14,20H2,1-2H3,(H,21,26,27).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azepan-1-yl)-N-(2-methoxyethyl)acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azepan-1-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 395.50 g/mol, XLogP of 0.77, 9 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-(azepan-1-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 4855639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).