2-[6-methyl-3-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid

C8H11N3O4 — CID 174523290

IUPAC2-[6-methyl-3-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
SMILESCNn1c(=O)[nH]c(C)c(CC(=O)O)c1=O
InChIInChI=1S/C8H11N3O4/c1-4-5(3-6(12)13)7(14)11(9-2)8(15)10-4/h9H,3H2,1-2H3,(H,10,15)(H,12,13)
InChIKeyKYIGMIZGCQNLRJ-UHFFFAOYSA-N
MW213.19 g/mol
LogP-1.35
Rot. Bonds3

About 2-[6-methyl-3-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid

2-[6-methyl-3-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid (PubChem CID 174523290) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-[6-methyl-3-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[6-methyl-3-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
PubChem CID174523290
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name2-[6-methyl-3-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
SMILESCNn1c(=O)[nH]c(C)c(CC(=O)O)c1=O
InChIInChI=1S/C8H11N3O4/c1-4-5(3-6(12)13)7(14)11(9-2)8(15)10-4/h9H,3H2,1-2H3,(H,10,15)(H,12,13)
InChIKeyKYIGMIZGCQNLRJ-UHFFFAOYSA-N
XLogP-1.35
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-3-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[6-methyl-3-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid (CID 174523290) is 2-[6-methyl-3-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[6-methyl-3-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[6-methyl-3-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid is CNn1c(=O)[nH]c(C)c(CC(=O)O)c1=O.
What is the InChIKey of 2-[6-methyl-3-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid?
The InChIKey is KYIGMIZGCQNLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-4-5(3-6(12)13)7(14)11(9-2)8(15)10-4/h9H,3H2,1-2H3,(H,10,15)(H,12,13).
What are the key properties of 2-[6-methyl-3-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid?
2-[6-methyl-3-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid has a molecular weight of 213.19 g/mol, XLogP of -1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-3-(methylamino)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 174523290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).