2-[6-(methylaminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid

C8H11N3O4 — CID 150964492

IUPAC2-[6-(methylaminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
SMILESCNCc1[nH]c(=O)[nH]c(=O)c1CC(=O)O
InChIInChI=1S/C8H11N3O4/c1-9-3-5-4(2-6(12)13)7(14)11-8(15)10-5/h9H,2-3H2,1H3,(H,12,13)(H2,10,11,14,15)
InChIKeyLMUFEGMWXAQHIH-UHFFFAOYSA-N
MW213.19 g/mol
LogP-1.59
Rot. Bonds4

About 2-[6-(methylaminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid

2-[6-(methylaminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid (PubChem CID 150964492) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-[6-(methylaminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(methylaminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
PubChem CID150964492
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name2-[6-(methylaminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
SMILESCNCc1[nH]c(=O)[nH]c(=O)c1CC(=O)O
InChIInChI=1S/C8H11N3O4/c1-9-3-5-4(2-6(12)13)7(14)11-8(15)10-5/h9H,2-3H2,1H3,(H,12,13)(H2,10,11,14,15)
InChIKeyLMUFEGMWXAQHIH-UHFFFAOYSA-N
XLogP-1.59
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
CID 743202
2-[6-(2-amino-2-oxoethyl)-3-(3-fluoropropyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
CID 71019130
2-(2,6-Dimethyl-4-oxo-1,2,3-trihydropyrimidin-5-yl)acetic acid
CID 23794838
2-(1,3,4-Trimethyl-2,6-dioxopyrimidin-5-yl)acetic acid
CID 14644804
Methyl 2-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetate
CID 50888656
2-amino-3-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)propanoic acid
CID 57544520
2-[6-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
CID 150164704
2-[6-(aminomethyl)-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid
CID 150275091
2-[6-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
CID 150959935
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid;methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate
CID 158182724
2-[6-methyl-3-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
CID 174523290
2-amino-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid
CID 174558233

Frequently Asked Questions

What is the IUPAC name of 2-[6-(methylaminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[6-(methylaminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid (CID 150964492) is 2-[6-(methylaminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[6-(methylaminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[6-(methylaminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid is CNCc1[nH]c(=O)[nH]c(=O)c1CC(=O)O.
What is the InChIKey of 2-[6-(methylaminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid?
The InChIKey is LMUFEGMWXAQHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-9-3-5-4(2-6(12)13)7(14)11-8(15)10-5/h9H,2-3H2,1H3,(H,12,13)(H2,10,11,14,15).
What are the key properties of 2-[6-(methylaminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid?
2-[6-(methylaminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid has a molecular weight of 213.19 g/mol, XLogP of -1.59, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methylaminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 150964492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).