N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-cyclopentylacetamide

C19H32N4O3 — CID 24687227

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-cyclopentylacetamide
SMILESCCCCN(C(=O)CC1CCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C19H32N4O3/c1-4-5-10-22(15(24)11-14-8-6-7-9-14)16-17(20)23(12-13(2)3)19(26)21-18(16)25/h13-14H,4-12,20H2,1-3H3,(H,21,25,26)
InChIKeyXRBJXDIFVXOPFF-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.49
Rot. Bonds8

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-cyclopentylacetamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-cyclopentylacetamide (PubChem CID 24687227) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-cyclopentylacetamide
PubChem CID24687227
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-cyclopentylacetamide
SMILESCCCCN(C(=O)CC1CCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C19H32N4O3/c1-4-5-10-22(15(24)11-14-8-6-7-9-14)16-17(20)23(12-13(2)3)19(26)21-18(16)25/h13-14H,4-12,20H2,1-3H3,(H,21,25,26)
InChIKeyXRBJXDIFVXOPFF-UHFFFAOYSA-N
XLogP2.49
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylcyclobutanecarboxamide
CID 7759348
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methylcyclopentanecarboxamide
CID 8918002
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclopentanecarboxamide
CID 2559954
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)cyclopentanecarboxamide
CID 8913855
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-cyclopentylacetamide
CID 9112663
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-butyl-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 18276569
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,4-dibutylcyclohexane-1-carboxamide
CID 24816780
N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-cyclohexyl-acetamide
CID 25162059
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)cyclobutanecarboxamide
CID 8922754
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-cyclohexyl-N-(2-methoxyethyl)propanamide
CID 16303491
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methylpropyl)propanamide
CID 18084101
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(3-methylbutyl)acetamide
CID 24686522

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-cyclopentylacetamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-cyclopentylacetamide (CID 24687227) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-cyclopentylacetamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-cyclopentylacetamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-cyclopentylacetamide is CCCCN(C(=O)CC1CCCC1)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-2-cyclopentylacetamide?
The InChIKey is XRBJXDIFVXOPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-4-5-10-22(15(24)11-14-8-6-7-9-14)16-17(20)23(12-13(2)3)19(26)21-18(16)25/h13-14H,4-12,20H2,1-3H3,(H,21,25,26).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-cyclopentylacetamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-cyclopentylacetamide has a molecular weight of 364.49 g/mol, XLogP of 2.49, 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-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-cyclopentylacetamide is sourced from PubChem (CID 24687227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).