N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)acetamide

C19H33N5O4 — CID 8543387

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)acetamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)CN2CCC(C)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H33N5O4/c1-4-5-8-24-17(20)16(18(26)21-19(24)27)23(11-12-28-3)15(25)13-22-9-6-14(2)7-10-22/h14H,4-13,20H2,1-3H3,(H,21,26,27)
InChIKeyZBXOSEVGBWNJDU-UHFFFAOYSA-N
MW395.50 g/mol
LogP0.63
Rot. Bonds9

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 8543387) has the molecular formula C19H33N5O4 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID8543387
Molecular FormulaC19H33N5O4
Molecular Weight395.50 g/mol
Exact Mass395.25
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)acetamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)CN2CCC(C)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H33N5O4/c1-4-5-8-24-17(20)16(18(26)21-19(24)27)23(11-12-28-3)15(25)13-22-9-6-14(2)7-10-22/h14H,4-13,20H2,1-3H3,(H,21,26,27)
InChIKeyZBXOSEVGBWNJDU-UHFFFAOYSA-N
XLogP0.63
TPSA113.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-morpholin-4-ylacetamide
CID 2469949
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-morpholin-4-ylacetamide
CID 2549186
Ethyl 1-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 3976387
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 4968872
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-cyclohexyl-N-(2-methoxyethyl)propanamide
CID 16303491
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide
CID 2697798
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 4820691
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)cyclobutanecarboxamide
CID 8840045
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methoxyethyl)propanamide
CID 18276814
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-cyclohexyl-N-(2-methoxyethyl)acetamide
CID 25163168
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azepan-1-yl)-N-(2-methoxyethyl)acetamide
CID 4855639
6-Amino-1-butyl-3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-5-morpholin-4-ylpyrimidine-2,4-dione
CID 4878498

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)acetamide (CID 8543387) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)acetamide is CCCCn1c(N)c(N(CCOC)C(=O)CN2CCC(C)CC2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is ZBXOSEVGBWNJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O4/c1-4-5-8-24-17(20)16(18(26)21-19(24)27)23(11-12-28-3)15(25)13-22-9-6-14(2)7-10-22/h14H,4-13,20H2,1-3H3,(H,21,26,27).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)acetamide has a molecular weight of 395.50 g/mol, XLogP of 0.63, 9 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-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 8543387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).