2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]acetamide

C11H15N7O4 — CID 118970088

IUPAC2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]acetamide
SMILESCc1noc(Cn2c(=O)c(NCC(N)=O)c(N)n(C)c2=O)n1
InChIInChI=1S/C11H15N7O4/c1-5-15-7(22-16-5)4-18-10(20)8(14-3-6(12)19)9(13)17(2)11(18)21/h14H,3-4,13H2,1-2H3,(H2,12,19)
InChIKeyWTLCZTCIJPZKJT-UHFFFAOYSA-N
MW309.29 g/mol
LogP-2.23
Rot. Bonds5

About 2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]acetamide

2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]acetamide (PubChem CID 118970088) has the molecular formula C11H15N7O4 and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]acetamide
PubChem CID118970088
Molecular FormulaC11H15N7O4
Molecular Weight309.29 g/mol
Exact Mass309.12
IUPAC Name2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]acetamide
SMILESCc1noc(Cn2c(=O)c(NCC(N)=O)c(N)n(C)c2=O)n1
InChIInChI=1S/C11H15N7O4/c1-5-15-7(22-16-5)4-18-10(20)8(14-3-6(12)19)9(13)17(2)11(18)21/h14H,3-4,13H2,1-2H3,(H2,12,19)
InChIKeyWTLCZTCIJPZKJT-UHFFFAOYSA-N
XLogP-2.23
TPSA164.06 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 5-2.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]acetamide?
The IUPAC name of 2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]acetamide (CID 118970088) is 2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]acetamide.
What is the SMILES notation for 2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]acetamide?
The canonical SMILES for 2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]acetamide is Cc1noc(Cn2c(=O)c(NCC(N)=O)c(N)n(C)c2=O)n1.
What is the InChIKey of 2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]acetamide?
The InChIKey is WTLCZTCIJPZKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O4/c1-5-15-7(22-16-5)4-18-10(20)8(14-3-6(12)19)9(13)17(2)11(18)21/h14H,3-4,13H2,1-2H3,(H2,12,19).
What are the key properties of 2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]acetamide?
2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]acetamide has a molecular weight of 309.29 g/mol, XLogP of -2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]acetamide is sourced from PubChem (CID 118970088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).