3-[2-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one

C12H19N5O2 — CID 72923956

IUPAC3-[2-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one
SMILESCCc1nc(N)nc(NCCN2CCOC2=O)c1C
InChIInChI=1S/C12H19N5O2/c1-3-9-8(2)10(16-11(13)15-9)14-4-5-17-6-7-19-12(17)18/h3-7H2,1-2H3,(H3,13,14,15,16)
InChIKeyDBGHIQVKVGQCDJ-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.79
Rot. Bonds5

About 3-[2-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one

3-[2-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one (PubChem CID 72923956) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-[2-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one
PubChem CID72923956
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name3-[2-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one
SMILESCCc1nc(N)nc(NCCN2CCOC2=O)c1C
InChIInChI=1S/C12H19N5O2/c1-3-9-8(2)10(16-11(13)15-9)14-4-5-17-6-7-19-12(17)18/h3-7H2,1-2H3,(H3,13,14,15,16)
InChIKeyDBGHIQVKVGQCDJ-UHFFFAOYSA-N
XLogP0.79
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one (CID 72923956) is 3-[2-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one is CCc1nc(N)nc(NCCN2CCOC2=O)c1C.
What is the InChIKey of 3-[2-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is DBGHIQVKVGQCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-3-9-8(2)10(16-11(13)15-9)14-4-5-17-6-7-19-12(17)18/h3-7H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 3-[2-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one?
3-[2-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 265.32 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 72923956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).