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

C7H8N3O3- — CID 135772253

IUPAC2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate
SMILESCc1cc(=O)[nH]c(NCC(=O)[O-])n1
InChIInChI=1S/C7H9N3O3/c1-4-2-5(11)10-7(9-4)8-3-6(12)13/h2H,3H2,1H3,(H,12,13)(H2,8,9,10,11)/p-1
InChIKeyBZWPDBVGNOXQSU-UHFFFAOYSA-M
MW182.16 g/mol
LogP-1.76
Rot. Bonds3

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

2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate (PubChem CID 135772253) has the molecular formula C7H8N3O3- and a molecular weight of 182.16 g/mol. Its IUPAC name is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Name2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate
PubChem CID135772253
Molecular FormulaC7H8N3O3-
Molecular Weight182.16 g/mol
Exact Mass182.06
IUPAC Name2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate
SMILESCc1cc(=O)[nH]c(NCC(=O)[O-])n1
InChIInChI=1S/C7H9N3O3/c1-4-2-5(11)10-7(9-4)8-3-6(12)13/h2H,3H2,1H3,(H,12,13)(H2,8,9,10,11)/p-1
InChIKeyBZWPDBVGNOXQSU-UHFFFAOYSA-M
XLogP-1.76
TPSA97.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 5-1.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate?
The IUPAC name of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate (CID 135772253) is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate.
What is the SMILES notation for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate?
The canonical SMILES for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate is Cc1cc(=O)[nH]c(NCC(=O)[O-])n1.
What is the InChIKey of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate?
The InChIKey is BZWPDBVGNOXQSU-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H9N3O3/c1-4-2-5(11)10-7(9-4)8-3-6(12)13/h2H,3H2,1H3,(H,12,13)(H2,8,9,10,11)/p-1.
What are the key properties of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate?
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate has a molecular weight of 182.16 g/mol, XLogP of -1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 135772253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).