ethyl 4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate

C12H18N4O4 — CID 136898504

IUPACethyl 4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc[nH]c(=O)c2OC)CC1
InChIInChI=1S/C12H18N4O4/c1-3-20-12(18)16-6-4-15(5-7-16)10-9(19-2)11(17)14-8-13-10/h8H,3-7H2,1-2H3,(H,13,14,17)
InChIKeyQZSRHHJCNWYLDT-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.06
Rot. Bonds3

About ethyl 4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate

ethyl 4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate (PubChem CID 136898504) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is ethyl 4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate
PubChem CID136898504
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Nameethyl 4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc[nH]c(=O)c2OC)CC1
InChIInChI=1S/C12H18N4O4/c1-3-20-12(18)16-6-4-15(5-7-16)10-9(19-2)11(17)14-8-13-10/h8H,3-7H2,1-2H3,(H,13,14,17)
InChIKeyQZSRHHJCNWYLDT-UHFFFAOYSA-N
XLogP0.06
TPSA87.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate (CID 136898504) is ethyl 4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc[nH]c(=O)c2OC)CC1.
What is the InChIKey of ethyl 4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate?
The InChIKey is QZSRHHJCNWYLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-3-20-12(18)16-6-4-15(5-7-16)10-9(19-2)11(17)14-8-13-10/h8H,3-7H2,1-2H3,(H,13,14,17).
What are the key properties of ethyl 4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate?
ethyl 4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 136898504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).