3-[2-(5-aminopyrimidin-2-yl)ethyl]-1,3-oxazolidin-2-one

C9H12N4O2 — CID 105461568

IUPAC3-[2-(5-aminopyrimidin-2-yl)ethyl]-1,3-oxazolidin-2-one
SMILESNc1cnc(CCN2CCOC2=O)nc1
InChIInChI=1S/C9H12N4O2/c10-7-5-11-8(12-6-7)1-2-13-3-4-15-9(13)14/h5-6H,1-4,10H2
InChIKeyGUVAEWMVQQRONT-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.05
Rot. Bonds3

About 3-[2-(5-aminopyrimidin-2-yl)ethyl]-1,3-oxazolidin-2-one

3-[2-(5-aminopyrimidin-2-yl)ethyl]-1,3-oxazolidin-2-one (PubChem CID 105461568) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-[2-(5-aminopyrimidin-2-yl)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(5-aminopyrimidin-2-yl)ethyl]-1,3-oxazolidin-2-one
PubChem CID105461568
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name3-[2-(5-aminopyrimidin-2-yl)ethyl]-1,3-oxazolidin-2-one
SMILESNc1cnc(CCN2CCOC2=O)nc1
InChIInChI=1S/C9H12N4O2/c10-7-5-11-8(12-6-7)1-2-13-3-4-15-9(13)14/h5-6H,1-4,10H2
InChIKeyGUVAEWMVQQRONT-UHFFFAOYSA-N
XLogP0.05
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-aminopyrimidin-2-yl)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(5-aminopyrimidin-2-yl)ethyl]-1,3-oxazolidin-2-one (CID 105461568) is 3-[2-(5-aminopyrimidin-2-yl)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(5-aminopyrimidin-2-yl)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(5-aminopyrimidin-2-yl)ethyl]-1,3-oxazolidin-2-one is Nc1cnc(CCN2CCOC2=O)nc1.
What is the InChIKey of 3-[2-(5-aminopyrimidin-2-yl)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is GUVAEWMVQQRONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c10-7-5-11-8(12-6-7)1-2-13-3-4-15-9(13)14/h5-6H,1-4,10H2.
What are the key properties of 3-[2-(5-aminopyrimidin-2-yl)ethyl]-1,3-oxazolidin-2-one?
3-[2-(5-aminopyrimidin-2-yl)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 208.22 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-aminopyrimidin-2-yl)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 105461568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).