ethyl 2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate

C9H13N3O3 — CID 135455109

IUPACethyl 2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1c(C)nc(N)[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-3-15-7(13)4-6-5(2)11-9(10)12-8(6)14/h3-4H2,1-2H3,(H3,10,11,12,14)
InChIKeyQQVHAVBZUUKKSU-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.23
Rot. Bonds3

About ethyl 2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate

ethyl 2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate (PubChem CID 135455109) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is ethyl 2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate
PubChem CID135455109
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Nameethyl 2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1c(C)nc(N)[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-3-15-7(13)4-6-5(2)11-9(10)12-8(6)14/h3-4H2,1-2H3,(H3,10,11,12,14)
InChIKeyQQVHAVBZUUKKSU-UHFFFAOYSA-N
XLogP-0.23
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate?
The IUPAC name of ethyl 2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate (CID 135455109) is ethyl 2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate?
The canonical SMILES for ethyl 2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate is CCOC(=O)Cc1c(C)nc(N)[nH]c1=O.
What is the InChIKey of ethyl 2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate?
The InChIKey is QQVHAVBZUUKKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-3-15-7(13)4-6-5(2)11-9(10)12-8(6)14/h3-4H2,1-2H3,(H3,10,11,12,14).
What are the key properties of ethyl 2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate?
ethyl 2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate has a molecular weight of 211.22 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate is sourced from PubChem (CID 135455109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).