methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate

C8H11N3O3 — CID 136955986

IUPACmethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C8H11N3O3/c1-5-10-6(3-7(12)11-5)9-4-8(13)14-2/h3H,4H2,1-2H3,(H2,9,10,11,12)
InChIKeyIAVYJNNJXNGXFU-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.34
Rot. Bonds3

About methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate

methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate (PubChem CID 136955986) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate
PubChem CID136955986
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Namemethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C8H11N3O3/c1-5-10-6(3-7(12)11-5)9-4-8(13)14-2/h3H,4H2,1-2H3,(H2,9,10,11,12)
InChIKeyIAVYJNNJXNGXFU-UHFFFAOYSA-N
XLogP-0.34
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethylcarbamoylamino]acetate
CID 136344715
ethyl 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)methylcarbamoylamino]acetate
CID 136455000
4-(2,2-dimethoxyethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136713916
2-(methoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one
CID 136818885
2-(ethoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one
CID 136818886
2-(ethoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one
CID 136818887
2-(ethoxymethyl)-4-(ethylamino)-1H-pyrimidin-6-one
CID 136818888
2-(methoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one
CID 136818889
4-(ethylamino)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136818890
4-(2-methoxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136820296
4-(2-ethoxyethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136955869
4-(2-methoxyethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136955887

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The IUPAC name of methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate (CID 136955986) is methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The canonical SMILES for methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate is COC(=O)CNc1cc(=O)[nH]c(C)n1.
What is the InChIKey of methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The InChIKey is IAVYJNNJXNGXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-5-10-6(3-7(12)11-5)9-4-8(13)14-2/h3H,4H2,1-2H3,(H2,9,10,11,12).
What are the key properties of methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate has a molecular weight of 197.19 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 136955986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).