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

C7H9N3O3 — CID 135483586

IUPACmethyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate
SMILESCOC(=O)Cc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C7H9N3O3/c1-13-6(12)3-4-2-5(11)10-7(8)9-4/h2H,3H2,1H3,(H3,8,9,10,11)
InChIKeyBQKKDFSYRPCJOS-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.93
Rot. Bonds2

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

methyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate (PubChem CID 135483586) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is methyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate
PubChem CID135483586
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Namemethyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate
SMILESCOC(=O)Cc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C7H9N3O3/c1-13-6(12)3-4-2-5(11)10-7(8)9-4/h2H,3H2,1H3,(H3,8,9,10,11)
InChIKeyBQKKDFSYRPCJOS-UHFFFAOYSA-N
XLogP-0.93
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate?
The IUPAC name of methyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate (CID 135483586) is methyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate.
What is the SMILES notation for methyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate?
The canonical SMILES for methyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate is COC(=O)Cc1cc(=O)[nH]c(N)n1.
What is the InChIKey of methyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate?
The InChIKey is BQKKDFSYRPCJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-13-6(12)3-4-2-5(11)10-7(8)9-4/h2H,3H2,1H3,(H3,8,9,10,11).
What are the key properties of methyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate?
methyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate has a molecular weight of 183.17 g/mol, XLogP of -0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate is sourced from PubChem (CID 135483586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).