2-[3-(3-aminopropyl)-2,4-dioxopyrimidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide

C13H22N4O4 — CID 106933743

IUPAC2-[3-(3-aminopropyl)-2,4-dioxopyrimidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)Cn1ccc(=O)n(CCCN)c1=O
InChIInChI=1S/C13H22N4O4/c1-10(9-21-2)15-11(18)8-16-7-4-12(19)17(13(16)20)6-3-5-14/h4,7,10H,3,5-6,8-9,14H2,1-2H3,(H,15,18)
InChIKeyGQMOHSGPHMJJNF-UHFFFAOYSA-N
MW298.34 g/mol
LogP-1.49
Rot. Bonds8

About 2-[3-(3-aminopropyl)-2,4-dioxopyrimidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide

2-[3-(3-aminopropyl)-2,4-dioxopyrimidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 106933743) has the molecular formula C13H22N4O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[3-(3-aminopropyl)-2,4-dioxopyrimidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(3-aminopropyl)-2,4-dioxopyrimidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID106933743
Molecular FormulaC13H22N4O4
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name2-[3-(3-aminopropyl)-2,4-dioxopyrimidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)Cn1ccc(=O)n(CCCN)c1=O
InChIInChI=1S/C13H22N4O4/c1-10(9-21-2)15-11(18)8-16-7-4-12(19)17(13(16)20)6-3-5-14/h4,7,10H,3,5-6,8-9,14H2,1-2H3,(H,15,18)
InChIKeyGQMOHSGPHMJJNF-UHFFFAOYSA-N
XLogP-1.49
TPSA108.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-aminopropyl)-1-(4-methoxybutyl)pyrimidine-2,4-dione
CID 106933817
3-(3-aminopropyl)-1-(3-methoxypropyl)pyrimidine-2,4-dione
CID 106933871
3-(3-aminopropyl)-1-[2-(2-methylpropoxy)ethyl]pyrimidine-2,4-dione
CID 106933752
3-(3-aminopropyl)-1-(3-hydroxybutyl)pyrimidine-2,4-dione
CID 106933846
3-(3-aminopropyl)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 106933852
N-(1-methoxypropan-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 51174931
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 61488098
3-(3-aminopropyl)-1-(6-hydroxyhexyl)pyrimidine-2,4-dione
CID 107706796
2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 63798879
2-(6-bromo-4-oxoquinolin-1-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 100737711
N-(1-methoxypropan-2-yl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 103985530
3-(3-aminopropyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
CID 106933814

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-aminopropyl)-2,4-dioxopyrimidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[3-(3-aminopropyl)-2,4-dioxopyrimidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide (CID 106933743) is 2-[3-(3-aminopropyl)-2,4-dioxopyrimidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[3-(3-aminopropyl)-2,4-dioxopyrimidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[3-(3-aminopropyl)-2,4-dioxopyrimidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)Cn1ccc(=O)n(CCCN)c1=O.
What is the InChIKey of 2-[3-(3-aminopropyl)-2,4-dioxopyrimidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is GQMOHSGPHMJJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4/c1-10(9-21-2)15-11(18)8-16-7-4-12(19)17(13(16)20)6-3-5-14/h4,7,10H,3,5-6,8-9,14H2,1-2H3,(H,15,18).
What are the key properties of 2-[3-(3-aminopropyl)-2,4-dioxopyrimidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide?
2-[3-(3-aminopropyl)-2,4-dioxopyrimidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 298.34 g/mol, XLogP of -1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-aminopropyl)-2,4-dioxopyrimidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 106933743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).