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

C19H32N4O3 — CID 18084090

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopentyl-N-(2-methylpropyl)acetamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)CC2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H32N4O3/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/h13-14H,4-12,20H2,1-3H3,(H,21,25,26)
InChIKeyLGFVCOZOQBRERD-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.49
Rot. Bonds8

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopentyl-N-(2-methylpropyl)acetamide (PubChem CID 18084090) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopentyl-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopentyl-N-(2-methylpropyl)acetamide
PubChem CID18084090
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopentyl-N-(2-methylpropyl)acetamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)CC2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H32N4O3/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/h13-14H,4-12,20H2,1-3H3,(H,21,25,26)
InChIKeyLGFVCOZOQBRERD-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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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopentyl-N-(2-methylpropyl)acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopentyl-N-(2-methylpropyl)acetamide (CID 18084090) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopentyl-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopentyl-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopentyl-N-(2-methylpropyl)acetamide is CCCCn1c(N)c(N(CC(C)C)C(=O)CC2CCCC2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopentyl-N-(2-methylpropyl)acetamide?
The InChIKey is LGFVCOZOQBRERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/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/h13-14H,4-12,20H2,1-3H3,(H,21,25,26).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopentyl-N-(2-methylpropyl)acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopentyl-N-(2-methylpropyl)acetamide 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-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopentyl-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 18084090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).