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

C17H28N4O3 — CID 8839039

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylcyclopentanecarboxamide
SMILESCCCCn1c(N)c(N(CCC)C(=O)C2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C17H28N4O3/c1-3-5-11-21-14(18)13(15(22)19-17(21)24)20(10-4-2)16(23)12-8-6-7-9-12/h12H,3-11,18H2,1-2H3,(H,19,22,24)
InChIKeySZTVEZYCJFLGSC-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.85
Rot. Bonds7

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylcyclopentanecarboxamide (PubChem CID 8839039) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylcyclopentanecarboxamide
PubChem CID8839039
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylcyclopentanecarboxamide
SMILESCCCCn1c(N)c(N(CCC)C(=O)C2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C17H28N4O3/c1-3-5-11-21-14(18)13(15(22)19-17(21)24)20(10-4-2)16(23)12-8-6-7-9-12/h12H,3-11,18H2,1-2H3,(H,19,22,24)
InChIKeySZTVEZYCJFLGSC-UHFFFAOYSA-N
XLogP1.85
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylcyclopentanecarboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylcyclopentanecarboxamide (CID 8839039) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylcyclopentanecarboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylcyclopentanecarboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylcyclopentanecarboxamide is CCCCn1c(N)c(N(CCC)C(=O)C2CCCC2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylcyclopentanecarboxamide?
The InChIKey is SZTVEZYCJFLGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-3-5-11-21-14(18)13(15(22)19-17(21)24)20(10-4-2)16(23)12-8-6-7-9-12/h12H,3-11,18H2,1-2H3,(H,19,22,24).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylcyclopentanecarboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylcyclopentanecarboxamide has a molecular weight of 336.44 g/mol, XLogP of 1.85, 7 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-propylcyclopentanecarboxamide is sourced from PubChem (CID 8839039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).