N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopent-2-en-1-yl-N-(2-methylpropyl)acetamide

C19H30N4O3 — CID 16561916

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopent-2-en-1-yl-N-(2-methylpropyl)acetamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)CC2C=CCC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H30N4O3/c1-4-5-10-22-17(20)16(18(25)21-19(22)26)23(12-13(2)3)15(24)11-14-8-6-7-9-14/h6,8,13-14H,4-5,7,9-12,20H2,1-3H3,(H,21,25,26)
InChIKeyBXBKUHHLINAROQ-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.26
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopent-2-en-1-yl-N-(2-methylpropyl)acetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopent-2-en-1-yl-N-(2-methylpropyl)acetamide (PubChem CID 16561916) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopent-2-en-1-yl-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopent-2-en-1-yl-N-(2-methylpropyl)acetamide
PubChem CID16561916
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopent-2-en-1-yl-N-(2-methylpropyl)acetamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)CC2C=CCC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H30N4O3/c1-4-5-10-22-17(20)16(18(25)21-19(22)26)23(12-13(2)3)15(24)11-14-8-6-7-9-14/h6,8,13-14H,4-5,7,9-12,20H2,1-3H3,(H,21,25,26)
InChIKeyBXBKUHHLINAROQ-UHFFFAOYSA-N
XLogP2.26
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopentyl-N-(2-methylpropyl)acetamide
CID 18084090
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)propanamide
CID 26200665
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 24980854
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-chloro-N-(2-methylpropyl)butanamide
CID 2393558
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-cyclopent-2-en-1-yl-N-ethylacetamide
CID 16561830
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(2-methylpropyl)benzamide
CID 8922762
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-[cyclopropyl(2-methylpropyl)amino]acetamide
CID 34411864
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)benzamide
CID 26200695
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)acetamide
CID 30846943
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-methyl-N-(2-methylpropyl)benzamide
CID 8922741
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-(2-methylpropyl)benzamide
CID 18084094
6-amino-1-butyl-5-[methyl(2-methylpropyl)amino]pyrimidine-2,4-dione
CID 47281812

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopent-2-en-1-yl-N-(2-methylpropyl)acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopent-2-en-1-yl-N-(2-methylpropyl)acetamide (CID 16561916) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopent-2-en-1-yl-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopent-2-en-1-yl-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopent-2-en-1-yl-N-(2-methylpropyl)acetamide is CCCCn1c(N)c(N(CC(C)C)C(=O)CC2C=CCC2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopent-2-en-1-yl-N-(2-methylpropyl)acetamide?
The InChIKey is BXBKUHHLINAROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-4-5-10-22-17(20)16(18(25)21-19(22)26)23(12-13(2)3)15(24)11-14-8-6-7-9-14/h6,8,13-14H,4-5,7,9-12,20H2,1-3H3,(H,21,25,26).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopent-2-en-1-yl-N-(2-methylpropyl)acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopent-2-en-1-yl-N-(2-methylpropyl)acetamide has a molecular weight of 362.47 g/mol, XLogP of 2.26, 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-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopent-2-en-1-yl-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 16561916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).