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

C21H37N5O3 — CID 42999301

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2-ethylpiperidin-1-yl)acetamide
SMILESCCCCN(C(=O)CN1CCCCC1CC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C21H37N5O3/c1-5-7-12-25(17(27)14-24-11-9-8-10-16(24)6-2)18-19(22)26(13-15(3)4)21(29)23-20(18)28/h15-16H,5-14,22H2,1-4H3,(H,23,28,29)
InChIKeyYGDDAQMDFFOWMH-UHFFFAOYSA-N
MW407.56 g/mol
LogP2.17
Rot. Bonds9

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

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2-ethylpiperidin-1-yl)acetamide (PubChem CID 42999301) has the molecular formula C21H37N5O3 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2-ethylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2-ethylpiperidin-1-yl)acetamide
PubChem CID42999301
Molecular FormulaC21H37N5O3
Molecular Weight407.56 g/mol
Exact Mass407.29
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2-ethylpiperidin-1-yl)acetamide
SMILESCCCCN(C(=O)CN1CCCCC1CC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C21H37N5O3/c1-5-7-12-25(17(27)14-24-11-9-8-10-16(24)6-2)18-19(22)26(13-15(3)4)21(29)23-20(18)28/h15-16H,5-14,22H2,1-4H3,(H,23,28,29)
InChIKeyYGDDAQMDFFOWMH-UHFFFAOYSA-N
XLogP2.17
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655260
ethyl 1-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl]piperidine-3-carboxylate
CID 16554677
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[cyclohexyl(methyl)amino]acetamide
CID 4818322
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide
CID 5019607
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azocan-1-ium-1-yl)-N-butylacetamide
CID 8583532
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 30748197
1-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-butyl-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CID 9094118
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
CID 4786209
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 41079630
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-(2-chlorophenyl)propanamide
CID 31492440
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 26211171
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide
CID 86953435

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2-ethylpiperidin-1-yl)acetamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2-ethylpiperidin-1-yl)acetamide (CID 42999301) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2-ethylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2-ethylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2-ethylpiperidin-1-yl)acetamide is CCCCN(C(=O)CN1CCCCC1CC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2-ethylpiperidin-1-yl)acetamide?
The InChIKey is YGDDAQMDFFOWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5O3/c1-5-7-12-25(17(27)14-24-11-9-8-10-16(24)6-2)18-19(22)26(13-15(3)4)21(29)23-20(18)28/h15-16H,5-14,22H2,1-4H3,(H,23,28,29).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2-ethylpiperidin-1-yl)acetamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2-ethylpiperidin-1-yl)acetamide has a molecular weight of 407.56 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2-ethylpiperidin-1-yl)acetamide is sourced from PubChem (CID 42999301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).