methyl 2-[(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]propanoate

C9H14N4O4 — CID 144952702

IUPACmethyl 2-[(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1c(N)[nH]c(=O)n(C)c1=O
InChIInChI=1S/C9H14N4O4/c1-4(8(15)17-3)11-5-6(10)12-9(16)13(2)7(5)14/h4,11H,10H2,1-3H3,(H,12,16)
InChIKeyQLLBECLFIZLZGU-UHFFFAOYSA-N
MW242.23 g/mol
LogP-1.37
Rot. Bonds3

About methyl 2-[(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]propanoate

methyl 2-[(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]propanoate (PubChem CID 144952702) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is methyl 2-[(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]propanoate
PubChem CID144952702
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Namemethyl 2-[(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1c(N)[nH]c(=O)n(C)c1=O
InChIInChI=1S/C9H14N4O4/c1-4(8(15)17-3)11-5-6(10)12-9(16)13(2)7(5)14/h4,11H,10H2,1-3H3,(H,12,16)
InChIKeyQLLBECLFIZLZGU-UHFFFAOYSA-N
XLogP-1.37
TPSA119.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]propanoate?
The IUPAC name of methyl 2-[(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]propanoate (CID 144952702) is methyl 2-[(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]propanoate?
The canonical SMILES for methyl 2-[(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]propanoate is COC(=O)C(C)Nc1c(N)[nH]c(=O)n(C)c1=O.
What is the InChIKey of methyl 2-[(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]propanoate?
The InChIKey is QLLBECLFIZLZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-4(8(15)17-3)11-5-6(10)12-9(16)13(2)7(5)14/h4,11H,10H2,1-3H3,(H,12,16).
What are the key properties of methyl 2-[(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]propanoate?
methyl 2-[(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]propanoate has a molecular weight of 242.23 g/mol, XLogP of -1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]propanoate is sourced from PubChem (CID 144952702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).