2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide

C9H13N3O3 — CID 30662441

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-2-4-10-8(14)6-12-5-3-7(13)11-9(12)15/h3,5H,2,4,6H2,1H3,(H,10,14)(H,11,13,15)
InChIKeyXIMXDGAVKLXQJS-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.94
Rot. Bonds4

About 2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide

2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide (PubChem CID 30662441) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide
PubChem CID30662441
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-2-4-10-8(14)6-12-5-3-7(13)11-9(12)15/h3,5H,2,4,6H2,1H3,(H,10,14)(H,11,13,15)
InChIKeyXIMXDGAVKLXQJS-UHFFFAOYSA-N
XLogP-0.94
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dioxopyrimidin-1-yl)acetohydrazide
CID 43236986
2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 60699315
2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 83030551
(2S)-4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybutanoic acid
CID 107834517
2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 9456600
4-chloro-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-propylbenzamide
CID 55993622
N-(2-chloroprop-2-enyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 115636712
2-(2,4-dioxopyrimidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 103767757
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 17408562
N-carbamoyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 63812524
N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 37345436
ethyl 4-(2,4-dioxopyrimidin-1-yl)-3-oxobutanoate
CID 63898906

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide (CID 30662441) is 2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide is CCCNC(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide?
The InChIKey is XIMXDGAVKLXQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-2-4-10-8(14)6-12-5-3-7(13)11-9(12)15/h3,5H,2,4,6H2,1H3,(H,10,14)(H,11,13,15).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide has a molecular weight of 211.22 g/mol, XLogP of -0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide is sourced from PubChem (CID 30662441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).