4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-ol

C10H14FN3O2 — CID 84596664

IUPAC4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-ol
SMILESCCc1ncnc(NC2COCC2O)c1F
InChIInChI=1S/C10H14FN3O2/c1-2-6-9(11)10(13-5-12-6)14-7-3-16-4-8(7)15/h5,7-8,15H,2-4H2,1H3,(H,12,13,14)
InChIKeyGOYKKCQEHUUTON-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.35
Rot. Bonds3

About 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-ol

4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-ol (PubChem CID 84596664) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-ol.

Molecular Properties

Compound Name4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-ol
PubChem CID84596664
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Name4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-ol
SMILESCCc1ncnc(NC2COCC2O)c1F
InChIInChI=1S/C10H14FN3O2/c1-2-6-9(11)10(13-5-12-6)14-7-3-16-4-8(7)15/h5,7-8,15H,2-4H2,1H3,(H,12,13,14)
InChIKeyGOYKKCQEHUUTON-UHFFFAOYSA-N
XLogP0.35
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-ol?
The IUPAC name of 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-ol (CID 84596664) is 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-ol.
What is the SMILES notation for 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-ol?
The canonical SMILES for 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-ol is CCc1ncnc(NC2COCC2O)c1F.
What is the InChIKey of 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-ol?
The InChIKey is GOYKKCQEHUUTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2/c1-2-6-9(11)10(13-5-12-6)14-7-3-16-4-8(7)15/h5,7-8,15H,2-4H2,1H3,(H,12,13,14).
What are the key properties of 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-ol?
4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-ol has a molecular weight of 227.24 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-ol is sourced from PubChem (CID 84596664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).