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

C22H27N5O4 — CID 8839103

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-cyanophenoxy)-N-cyclopentylacetamide
SMILESCCCCn1c(N)c(N(C(=O)COc2ccc(C#N)cc2)C2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C22H27N5O4/c1-2-3-12-26-20(24)19(21(29)25-22(26)30)27(16-6-4-5-7-16)18(28)14-31-17-10-8-15(13-23)9-11-17/h8-11,16H,2-7,12,14,24H2,1H3,(H,25,29,30)
InChIKeyQMVGULHFZMIFKT-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.15
Rot. Bonds8

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-cyanophenoxy)-N-cyclopentylacetamide (PubChem CID 8839103) has the molecular formula C22H27N5O4 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-cyanophenoxy)-N-cyclopentylacetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-cyanophenoxy)-N-cyclopentylacetamide
PubChem CID8839103
Molecular FormulaC22H27N5O4
Molecular Weight425.49 g/mol
Exact Mass425.21
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-cyanophenoxy)-N-cyclopentylacetamide
SMILESCCCCn1c(N)c(N(C(=O)COc2ccc(C#N)cc2)C2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C22H27N5O4/c1-2-3-12-26-20(24)19(21(29)25-22(26)30)27(16-6-4-5-7-16)18(28)14-31-17-10-8-15(13-23)9-11-17/h8-11,16H,2-7,12,14,24H2,1H3,(H,25,29,30)
InChIKeyQMVGULHFZMIFKT-UHFFFAOYSA-N
XLogP2.15
TPSA134.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 55411600
4-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-hydroxypropoxy]benzonitrile
CID 55498249
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-3,5-dimethylbenzamide
CID 8839087
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 8620707
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide
CID 24649317
methyl 4-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethoxy]benzoate
CID 9019525
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 24682293
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 4-cyanobenzoate
CID 16522673
[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] cyclopentanecarboxylate
CID 9202121
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 24501209
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-propoxybenzamide
CID 26196356
2-(4-cyanophenoxy)-N-cycloheptyl-N-methylacetamide
CID 43409230

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-cyanophenoxy)-N-cyclopentylacetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-cyanophenoxy)-N-cyclopentylacetamide (CID 8839103) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-cyanophenoxy)-N-cyclopentylacetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-cyanophenoxy)-N-cyclopentylacetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-cyanophenoxy)-N-cyclopentylacetamide is CCCCn1c(N)c(N(C(=O)COc2ccc(C#N)cc2)C2CCCC2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-cyanophenoxy)-N-cyclopentylacetamide?
The InChIKey is QMVGULHFZMIFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4/c1-2-3-12-26-20(24)19(21(29)25-22(26)30)27(16-6-4-5-7-16)18(28)14-31-17-10-8-15(13-23)9-11-17/h8-11,16H,2-7,12,14,24H2,1H3,(H,25,29,30).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-cyanophenoxy)-N-cyclopentylacetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-cyanophenoxy)-N-cyclopentylacetamide has a molecular weight of 425.49 g/mol, XLogP of 2.15, 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)-2-(4-cyanophenoxy)-N-cyclopentylacetamide is sourced from PubChem (CID 8839103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).