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

C22H37N5O3 — CID 8679835

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-yl)-N-cyclopentylacetamide
SMILESCCCCn1c(N)c(N(C(=O)CN2CCCCCCC2)C2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C22H37N5O3/c1-2-3-15-26-20(23)19(21(29)24-22(26)30)27(17-11-7-8-12-17)18(28)16-25-13-9-5-4-6-10-14-25/h17H,2-16,23H2,1H3,(H,24,29,30)
InChIKeyGPLRJVWXOWJDTD-UHFFFAOYSA-N
MW419.57 g/mol
LogP2.46
Rot. Bonds7

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-yl)-N-cyclopentylacetamide (PubChem CID 8679835) has the molecular formula C22H37N5O3 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-yl)-N-cyclopentylacetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-yl)-N-cyclopentylacetamide
PubChem CID8679835
Molecular FormulaC22H37N5O3
Molecular Weight419.57 g/mol
Exact Mass419.29
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-yl)-N-cyclopentylacetamide
SMILESCCCCn1c(N)c(N(C(=O)CN2CCCCCCC2)C2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C22H37N5O3/c1-2-3-15-26-20(23)19(21(29)24-22(26)30)27(17-11-7-8-12-17)18(28)16-25-13-9-5-4-6-10-14-25/h17H,2-16,23H2,1H3,(H,24,29,30)
InChIKeyGPLRJVWXOWJDTD-UHFFFAOYSA-N
XLogP2.46
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-yl)-N-cyclopentylacetamide with MolForge

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Related Compounds

5,6-Diamino-1-dodecyl-3-methylpyrimidine-2,4-dione
CID 11723787
6-Amino-1-Butyl-5-(Cyclopentylamino)pyrimidine-2,4(1h,3h)-Dione
CID 2363705
5,6-diamino-3-dodecyl-1H-pyrimidine-2,4-dione
CID 10086748
9-Hexadecyl-3,7-dihydropurine-2,6,8-trione
CID 10318378
5,6-Diamino-1-dodecylpyrimidine-2,4-dione
CID 11722943
1-dodecyl-7,9-dihydro-3H-purine-2,6,8-trione
CID 9997157
7-Dodecyl-3,9-dihydropurine-2,6,8-trione
CID 9997159
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[cyclohexyl(methyl)amino]-N-(2-methylpropyl)acetamide
CID 2507215
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azocan-1-yl)-N-(2-methylpropyl)acetamide
CID 4855637
2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
CID 8694990
1-(6-Amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-butyl-3-cyclohexylurea
CID 9508994
5,6-Diamino-3-cyclopentyl-2,4(1h,3h)-pyrimidinedione
CID 11830694

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-yl)-N-cyclopentylacetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-yl)-N-cyclopentylacetamide (CID 8679835) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-yl)-N-cyclopentylacetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-yl)-N-cyclopentylacetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-yl)-N-cyclopentylacetamide is CCCCn1c(N)c(N(C(=O)CN2CCCCCCC2)C2CCCC2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-yl)-N-cyclopentylacetamide?
The InChIKey is GPLRJVWXOWJDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5O3/c1-2-3-15-26-20(23)19(21(29)24-22(26)30)27(17-11-7-8-12-17)18(28)16-25-13-9-5-4-6-10-14-25/h17H,2-16,23H2,1H3,(H,24,29,30).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-yl)-N-cyclopentylacetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-yl)-N-cyclopentylacetamide has a molecular weight of 419.57 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-yl)-N-cyclopentylacetamide is sourced from PubChem (CID 8679835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).