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

C7H10N4O3 — CID 129289932

IUPAC2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetamide
SMILESCn1cc(NCC(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/C7H10N4O3/c1-11-3-4(9-2-5(8)12)6(13)10-7(11)14/h3,9H,2H2,1H3,(H2,8,12)(H,10,13,14)
InChIKeyQPEGLYADNYTXPB-UHFFFAOYSA-N
MW198.18 g/mol
LogP-2.03
Rot. Bonds3

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

2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetamide (PubChem CID 129289932) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetamide
PubChem CID129289932
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetamide
SMILESCn1cc(NCC(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/C7H10N4O3/c1-11-3-4(9-2-5(8)12)6(13)10-7(11)14/h3,9H,2H2,1H3,(H2,8,12)(H,10,13,14)
InChIKeyQPEGLYADNYTXPB-UHFFFAOYSA-N
XLogP-2.03
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-2.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetamide?
The IUPAC name of 2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetamide (CID 129289932) is 2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetamide.
What is the SMILES notation for 2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetamide?
The canonical SMILES for 2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetamide is Cn1cc(NCC(N)=O)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetamide?
The InChIKey is QPEGLYADNYTXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-11-3-4(9-2-5(8)12)6(13)10-7(11)14/h3,9H,2H2,1H3,(H2,8,12)(H,10,13,14).
What are the key properties of 2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetamide?
2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetamide has a molecular weight of 198.18 g/mol, XLogP of -2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetamide is sourced from PubChem (CID 129289932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).