N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclopentanecarboxamide

C16H26N4O3 — CID 2559954

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclopentanecarboxamide
SMILESCCCCn1c(N)c(N(CC)C(=O)C2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C16H26N4O3/c1-3-5-10-20-13(17)12(14(21)18-16(20)23)19(4-2)15(22)11-8-6-7-9-11/h11H,3-10,17H2,1-2H3,(H,18,21,23)
InChIKeyVRFFPZZVECXXJW-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.46
Rot. Bonds6

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclopentanecarboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclopentanecarboxamide (PubChem CID 2559954) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclopentanecarboxamide
PubChem CID2559954
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclopentanecarboxamide
SMILESCCCCn1c(N)c(N(CC)C(=O)C2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C16H26N4O3/c1-3-5-10-20-13(17)12(14(21)18-16(20)23)19(4-2)15(22)11-8-6-7-9-11/h11H,3-10,17H2,1-2H3,(H,18,21,23)
InChIKeyVRFFPZZVECXXJW-UHFFFAOYSA-N
XLogP1.46
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclobutanecarboxamide
CID 2644561
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-(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-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
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-cyclopentylacetamide
CID 24687227

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclopentanecarboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclopentanecarboxamide (CID 2559954) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclopentanecarboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclopentanecarboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclopentanecarboxamide is CCCCn1c(N)c(N(CC)C(=O)C2CCCC2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclopentanecarboxamide?
The InChIKey is VRFFPZZVECXXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-3-5-10-20-13(17)12(14(21)18-16(20)23)19(4-2)15(22)11-8-6-7-9-11/h11H,3-10,17H2,1-2H3,(H,18,21,23).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclopentanecarboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclopentanecarboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.46, 6 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)-N-ethylcyclopentanecarboxamide is sourced from PubChem (CID 2559954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).