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

C11H16FN5O2 — CID 72906073

IUPAC3-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one
SMILESCN(C)c1nc(NCCN2CCOC2=O)ncc1F
InChIInChI=1S/C11H16FN5O2/c1-16(2)9-8(12)7-14-10(15-9)13-3-4-17-5-6-19-11(17)18/h7H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyHWBNWKKXNGVQMJ-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.55
Rot. Bonds5

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

3-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one (PubChem CID 72906073) has the molecular formula C11H16FN5O2 and a molecular weight of 269.28 g/mol. Its IUPAC name is 3-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one
PubChem CID72906073
Molecular FormulaC11H16FN5O2
Molecular Weight269.28 g/mol
Exact Mass269.13
IUPAC Name3-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one
SMILESCN(C)c1nc(NCCN2CCOC2=O)ncc1F
InChIInChI=1S/C11H16FN5O2/c1-16(2)9-8(12)7-14-10(15-9)13-3-4-17-5-6-19-11(17)18/h7H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyHWBNWKKXNGVQMJ-UHFFFAOYSA-N
XLogP0.55
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one (CID 72906073) is 3-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one is CN(C)c1nc(NCCN2CCOC2=O)ncc1F.
What is the InChIKey of 3-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is HWBNWKKXNGVQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN5O2/c1-16(2)9-8(12)7-14-10(15-9)13-3-4-17-5-6-19-11(17)18/h7H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 3-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one?
3-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 269.28 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 72906073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).