2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-propan-2-ylamino]acetamide

C13H21N5O4 — CID 26302605

IUPAC2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H21N5O4/c1-7(2)18(6-9(14)20)5-8(19)10-11(15)16(3)13(22)17(4)12(10)21/h7H,5-6,15H2,1-4H3,(H2,14,20)
InChIKeyRQBLMZZXZIXUMF-UHFFFAOYSA-N
MW311.34 g/mol
LogP-1.96
Rot. Bonds6

About 2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-propan-2-ylamino]acetamide

2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-propan-2-ylamino]acetamide (PubChem CID 26302605) has the molecular formula C13H21N5O4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-propan-2-ylamino]acetamide
PubChem CID26302605
Molecular FormulaC13H21N5O4
Molecular Weight311.34 g/mol
Exact Mass311.16
IUPAC Name2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H21N5O4/c1-7(2)18(6-9(14)20)5-8(19)10-11(15)16(3)13(22)17(4)12(10)21/h7H,5-6,15H2,1-4H3,(H2,14,20)
InChIKeyRQBLMZZXZIXUMF-UHFFFAOYSA-N
XLogP-1.96
TPSA133.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 5-1.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-propan-2-ylamino]acetamide (CID 26302605) is 2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-propan-2-ylamino]acetamide?
The InChIKey is RQBLMZZXZIXUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O4/c1-7(2)18(6-9(14)20)5-8(19)10-11(15)16(3)13(22)17(4)12(10)21/h7H,5-6,15H2,1-4H3,(H2,14,20).
What are the key properties of 2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-propan-2-ylamino]acetamide?
2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-propan-2-ylamino]acetamide has a molecular weight of 311.34 g/mol, XLogP of -1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-propan-2-ylamino]acetamide is sourced from PubChem (CID 26302605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).