N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide

C21H33F3N6O3 — CID 24683908

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
SMILESCCCCn1c(N)c(N(C(=O)CN2CCN(CC(F)(F)F)CC2)C2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C21H33F3N6O3/c1-2-3-8-29-18(25)17(19(32)26-20(29)33)30(15-6-4-5-7-15)16(31)13-27-9-11-28(12-10-27)14-21(22,23)24/h15H,2-14,25H2,1H3,(H,26,32,33)
InChIKeyFCFJXTCLWCBHIK-UHFFFAOYSA-N
MW474.53 g/mol
LogP1.37
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide (PubChem CID 24683908) has the molecular formula C21H33F3N6O3 and a molecular weight of 474.53 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
PubChem CID24683908
Molecular FormulaC21H33F3N6O3
Molecular Weight474.53 g/mol
Exact Mass474.26
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
SMILESCCCCn1c(N)c(N(C(=O)CN2CCN(CC(F)(F)F)CC2)C2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C21H33F3N6O3/c1-2-3-8-29-18(25)17(19(32)26-20(29)33)30(15-6-4-5-7-15)16(31)13-27-9-11-28(12-10-27)14-21(22,23)24/h15H,2-14,25H2,1H3,(H,26,32,33)
InChIKeyFCFJXTCLWCBHIK-UHFFFAOYSA-N
XLogP1.37
TPSA107.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide (CID 24683908) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide is CCCCn1c(N)c(N(C(=O)CN2CCN(CC(F)(F)F)CC2)C2CCCC2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The InChIKey is FCFJXTCLWCBHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33F3N6O3/c1-2-3-8-29-18(25)17(19(32)26-20(29)33)30(15-6-4-5-7-15)16(31)13-27-9-11-28(12-10-27)14-21(22,23)24/h15H,2-14,25H2,1H3,(H,26,32,33).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide has a molecular weight of 474.53 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 24683908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).