ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate

C11H16N4O3 — CID 137007603

IUPACethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1c1nc[nH]c(=O)c1N
InChIInChI=1S/C11H16N4O3/c1-2-18-11(17)7-4-3-5-15(7)9-8(12)10(16)14-6-13-9/h6-7H,2-5,12H2,1H3,(H,13,14,16)
InChIKeyHBPULSPOBJDWEO-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.12
Rot. Bonds3

About ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate

ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate (PubChem CID 137007603) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
PubChem CID137007603
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Nameethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1c1nc[nH]c(=O)c1N
InChIInChI=1S/C11H16N4O3/c1-2-18-11(17)7-4-3-5-15(7)9-8(12)10(16)14-6-13-9/h6-7H,2-5,12H2,1H3,(H,13,14,16)
InChIKeyHBPULSPOBJDWEO-UHFFFAOYSA-N
XLogP-0.12
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate (CID 137007603) is ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1c1nc[nH]c(=O)c1N.
What is the InChIKey of ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate?
The InChIKey is HBPULSPOBJDWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-2-18-11(17)7-4-3-5-15(7)9-8(12)10(16)14-6-13-9/h6-7H,2-5,12H2,1H3,(H,13,14,16).
What are the key properties of ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate?
ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate has a molecular weight of 252.27 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 137007603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).