ethyl 4-amino-6-oxo-1H-pyrimidine-2-carboxylate

C7H9N3O3 — CID 137195153

IUPACethyl 4-amino-6-oxo-1H-pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nc(N)cc(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c1-2-13-7(12)6-9-4(8)3-5(11)10-6/h3H,2H2,1H3,(H3,8,9,10,11)
InChIKeyRAPZFXJTQOHPNY-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.47
Rot. Bonds2

About ethyl 4-amino-6-oxo-1H-pyrimidine-2-carboxylate

ethyl 4-amino-6-oxo-1H-pyrimidine-2-carboxylate (PubChem CID 137195153) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is ethyl 4-amino-6-oxo-1H-pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6-oxo-1H-pyrimidine-2-carboxylate
PubChem CID137195153
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Nameethyl 4-amino-6-oxo-1H-pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nc(N)cc(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c1-2-13-7(12)6-9-4(8)3-5(11)10-6/h3H,2H2,1H3,(H3,8,9,10,11)
InChIKeyRAPZFXJTQOHPNY-UHFFFAOYSA-N
XLogP-0.47
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 ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-oxo-1H-pyrimidine-2-carboxylate?
The IUPAC name of ethyl 4-amino-6-oxo-1H-pyrimidine-2-carboxylate (CID 137195153) is ethyl 4-amino-6-oxo-1H-pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 4-amino-6-oxo-1H-pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 4-amino-6-oxo-1H-pyrimidine-2-carboxylate is CCOC(=O)c1nc(N)cc(=O)[nH]1.
What is the InChIKey of ethyl 4-amino-6-oxo-1H-pyrimidine-2-carboxylate?
The InChIKey is RAPZFXJTQOHPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-2-13-7(12)6-9-4(8)3-5(11)10-6/h3H,2H2,1H3,(H3,8,9,10,11).
What are the key properties of ethyl 4-amino-6-oxo-1H-pyrimidine-2-carboxylate?
ethyl 4-amino-6-oxo-1H-pyrimidine-2-carboxylate has a molecular weight of 183.17 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-6-oxo-1H-pyrimidine-2-carboxylate is sourced from PubChem (CID 137195153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).