ethyl 5-amino-6-oxo-4-piperazin-1-yl-1H-pyrimidine-2-carboxylate

C11H17N5O3 — CID 135815596

IUPACethyl 5-amino-6-oxo-4-piperazin-1-yl-1H-pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nc(N2CCNCC2)c(N)c(=O)[nH]1
InChIInChI=1S/C11H17N5O3/c1-2-19-11(18)8-14-9(7(12)10(17)15-8)16-5-3-13-4-6-16/h13H,2-6,12H2,1H3,(H,14,15,17)
InChIKeyASGYGBOFQNTQLV-UHFFFAOYSA-N
MW267.29 g/mol
LogP-1.06
Rot. Bonds3

About ethyl 5-amino-6-oxo-4-piperazin-1-yl-1H-pyrimidine-2-carboxylate

ethyl 5-amino-6-oxo-4-piperazin-1-yl-1H-pyrimidine-2-carboxylate (PubChem CID 135815596) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is ethyl 5-amino-6-oxo-4-piperazin-1-yl-1H-pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-6-oxo-4-piperazin-1-yl-1H-pyrimidine-2-carboxylate
PubChem CID135815596
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Nameethyl 5-amino-6-oxo-4-piperazin-1-yl-1H-pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nc(N2CCNCC2)c(N)c(=O)[nH]1
InChIInChI=1S/C11H17N5O3/c1-2-19-11(18)8-14-9(7(12)10(17)15-8)16-5-3-13-4-6-16/h13H,2-6,12H2,1H3,(H,14,15,17)
InChIKeyASGYGBOFQNTQLV-UHFFFAOYSA-N
XLogP-1.06
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-6-oxo-4-piperazin-1-yl-1H-pyrimidine-2-carboxylate?
The IUPAC name of ethyl 5-amino-6-oxo-4-piperazin-1-yl-1H-pyrimidine-2-carboxylate (CID 135815596) is ethyl 5-amino-6-oxo-4-piperazin-1-yl-1H-pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 5-amino-6-oxo-4-piperazin-1-yl-1H-pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 5-amino-6-oxo-4-piperazin-1-yl-1H-pyrimidine-2-carboxylate is CCOC(=O)c1nc(N2CCNCC2)c(N)c(=O)[nH]1.
What is the InChIKey of ethyl 5-amino-6-oxo-4-piperazin-1-yl-1H-pyrimidine-2-carboxylate?
The InChIKey is ASGYGBOFQNTQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-2-19-11(18)8-14-9(7(12)10(17)15-8)16-5-3-13-4-6-16/h13H,2-6,12H2,1H3,(H,14,15,17).
What are the key properties of ethyl 5-amino-6-oxo-4-piperazin-1-yl-1H-pyrimidine-2-carboxylate?
ethyl 5-amino-6-oxo-4-piperazin-1-yl-1H-pyrimidine-2-carboxylate has a molecular weight of 267.29 g/mol, XLogP of -1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-6-oxo-4-piperazin-1-yl-1H-pyrimidine-2-carboxylate is sourced from PubChem (CID 135815596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).