3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanamide

C16H22N6O6 — CID 139042927

IUPAC3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanamide
SMILESCc1cn(CCC(N)=O)c(=O)[nH]c1=O.Cc1cn(CCC(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/2C8H11N3O3/c2*1-5-4-11(3-2-6(9)12)8(14)10-7(5)13/h2*4H,2-3H2,1H3,(H2,9,12)(H,10,13,14)
InChIKeyLTZHYRSVENCNGS-UHFFFAOYSA-N
MW394.39 g/mol
LogP-2.56
Rot. Bonds6

About 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanamide

3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanamide (PubChem CID 139042927) has the molecular formula C16H22N6O6 and a molecular weight of 394.39 g/mol. Its IUPAC name is 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound Name3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanamide
PubChem CID139042927
Molecular FormulaC16H22N6O6
Molecular Weight394.39 g/mol
Exact Mass394.16
IUPAC Name3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanamide
SMILESCc1cn(CCC(N)=O)c(=O)[nH]c1=O.Cc1cn(CCC(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/2C8H11N3O3/c2*1-5-4-11(3-2-6(9)12)8(14)10-7(5)13/h2*4H,2-3H2,1H3,(H2,9,12)(H,10,13,14)
InChIKeyLTZHYRSVENCNGS-UHFFFAOYSA-N
XLogP-2.56
TPSA195.90 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 5-2.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanamide?
The IUPAC name of 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanamide (CID 139042927) is 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanamide.
What is the SMILES notation for 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanamide?
The canonical SMILES for 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanamide is Cc1cn(CCC(N)=O)c(=O)[nH]c1=O.Cc1cn(CCC(N)=O)c(=O)[nH]c1=O.
What is the InChIKey of 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanamide?
The InChIKey is LTZHYRSVENCNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H11N3O3/c2*1-5-4-11(3-2-6(9)12)8(14)10-7(5)13/h2*4H,2-3H2,1H3,(H2,9,12)(H,10,13,14).
What are the key properties of 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanamide?
3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanamide has a molecular weight of 394.39 g/mol, XLogP of -2.56, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 139042927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).