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

C9H12N4O2 — CID 80654969

IUPAC3-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1cc(N)nc(CN2CCOC2=O)n1
InChIInChI=1S/C9H12N4O2/c1-6-4-7(10)12-8(11-6)5-13-2-3-15-9(13)14/h4H,2-3,5H2,1H3,(H2,10,11,12)
InChIKeyQJIIQROQLDVXJQ-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.32
Rot. Bonds2

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

3-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 80654969) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID80654969
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name3-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1cc(N)nc(CN2CCOC2=O)n1
InChIInChI=1S/C9H12N4O2/c1-6-4-7(10)12-8(11-6)5-13-2-3-15-9(13)14/h4H,2-3,5H2,1H3,(H2,10,11,12)
InChIKeyQJIIQROQLDVXJQ-UHFFFAOYSA-N
XLogP0.32
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3-oxazolidin-2-one (CID 80654969) is 3-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3-oxazolidin-2-one is Cc1cc(N)nc(CN2CCOC2=O)n1.
What is the InChIKey of 3-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is QJIIQROQLDVXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-6-4-7(10)12-8(11-6)5-13-2-3-15-9(13)14/h4H,2-3,5H2,1H3,(H2,10,11,12).
What are the key properties of 3-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3-oxazolidin-2-one?
3-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 208.22 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 80654969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).