ethyl 4-(4-amino-6-methylpyrimidin-2-yl)piperazine-1-carboxylate

C12H19N5O2 — CID 71778758

IUPACethyl 4-(4-amino-6-methylpyrimidin-2-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(C)cc(N)n2)CC1
InChIInChI=1S/C12H19N5O2/c1-3-19-12(18)17-6-4-16(5-7-17)11-14-9(2)8-10(13)15-11/h8H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyOBAZEEGALBSTGH-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.65
Rot. Bonds2

About ethyl 4-(4-amino-6-methylpyrimidin-2-yl)piperazine-1-carboxylate

ethyl 4-(4-amino-6-methylpyrimidin-2-yl)piperazine-1-carboxylate (PubChem CID 71778758) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is ethyl 4-(4-amino-6-methylpyrimidin-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-amino-6-methylpyrimidin-2-yl)piperazine-1-carboxylate
PubChem CID71778758
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Nameethyl 4-(4-amino-6-methylpyrimidin-2-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(C)cc(N)n2)CC1
InChIInChI=1S/C12H19N5O2/c1-3-19-12(18)17-6-4-16(5-7-17)11-14-9(2)8-10(13)15-11/h8H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyOBAZEEGALBSTGH-UHFFFAOYSA-N
XLogP0.65
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-amino-6-methylpyrimidin-2-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(4-amino-6-methylpyrimidin-2-yl)piperazine-1-carboxylate (CID 71778758) is ethyl 4-(4-amino-6-methylpyrimidin-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-amino-6-methylpyrimidin-2-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-amino-6-methylpyrimidin-2-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc(C)cc(N)n2)CC1.
What is the InChIKey of ethyl 4-(4-amino-6-methylpyrimidin-2-yl)piperazine-1-carboxylate?
The InChIKey is OBAZEEGALBSTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-3-19-12(18)17-6-4-16(5-7-17)11-14-9(2)8-10(13)15-11/h8H,3-7H2,1-2H3,(H2,13,14,15).
What are the key properties of ethyl 4-(4-amino-6-methylpyrimidin-2-yl)piperazine-1-carboxylate?
ethyl 4-(4-amino-6-methylpyrimidin-2-yl)piperazine-1-carboxylate has a molecular weight of 265.32 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-amino-6-methylpyrimidin-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 71778758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).