ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate

C12H18N4O3 — CID 136898502

IUPACethyl 4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(=O)[nH]c(C)n2)CC1
InChIInChI=1S/C12H18N4O3/c1-3-19-12(18)16-6-4-15(5-7-16)10-8-11(17)14-9(2)13-10/h8H,3-7H2,1-2H3,(H,13,14,17)
InChIKeyDNCUPHIUGLARHP-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.36
Rot. Bonds2

About ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate

ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate (PubChem CID 136898502) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate
PubChem CID136898502
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Nameethyl 4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(=O)[nH]c(C)n2)CC1
InChIInChI=1S/C12H18N4O3/c1-3-19-12(18)16-6-4-15(5-7-16)10-8-11(17)14-9(2)13-10/h8H,3-7H2,1-2H3,(H,13,14,17)
InChIKeyDNCUPHIUGLARHP-UHFFFAOYSA-N
XLogP0.36
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate (CID 136898502) is ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2cc(=O)[nH]c(C)n2)CC1.
What is the InChIKey of ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate?
The InChIKey is DNCUPHIUGLARHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-3-19-12(18)16-6-4-15(5-7-16)10-8-11(17)14-9(2)13-10/h8H,3-7H2,1-2H3,(H,13,14,17).
What are the key properties of ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate?
ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 136898502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).