2-[(2-amino-5-fluoropyrimidin-4-yl)-propylamino]ethanol

C9H15FN4O — CID 80796328

IUPAC2-[(2-amino-5-fluoropyrimidin-4-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1nc(N)ncc1F
InChIInChI=1S/C9H15FN4O/c1-2-3-14(4-5-15)8-7(10)6-12-9(11)13-8/h6,15H,2-5H2,1H3,(H2,11,12,13)
InChIKeySAXKPMLHHPJOAX-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.41
Rot. Bonds5

About 2-[(2-amino-5-fluoropyrimidin-4-yl)-propylamino]ethanol

2-[(2-amino-5-fluoropyrimidin-4-yl)-propylamino]ethanol (PubChem CID 80796328) has the molecular formula C9H15FN4O and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-[(2-amino-5-fluoropyrimidin-4-yl)-propylamino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-5-fluoropyrimidin-4-yl)-propylamino]ethanol
PubChem CID80796328
Molecular FormulaC9H15FN4O
Molecular Weight214.24 g/mol
Exact Mass214.12
IUPAC Name2-[(2-amino-5-fluoropyrimidin-4-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1nc(N)ncc1F
InChIInChI=1S/C9H15FN4O/c1-2-3-14(4-5-15)8-7(10)6-12-9(11)13-8/h6,15H,2-5H2,1H3,(H2,11,12,13)
InChIKeySAXKPMLHHPJOAX-UHFFFAOYSA-N
XLogP0.41
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-fluoropyrimidin-4-yl)-propylamino]ethanol?
The IUPAC name of 2-[(2-amino-5-fluoropyrimidin-4-yl)-propylamino]ethanol (CID 80796328) is 2-[(2-amino-5-fluoropyrimidin-4-yl)-propylamino]ethanol.
What is the SMILES notation for 2-[(2-amino-5-fluoropyrimidin-4-yl)-propylamino]ethanol?
The canonical SMILES for 2-[(2-amino-5-fluoropyrimidin-4-yl)-propylamino]ethanol is CCCN(CCO)c1nc(N)ncc1F.
What is the InChIKey of 2-[(2-amino-5-fluoropyrimidin-4-yl)-propylamino]ethanol?
The InChIKey is SAXKPMLHHPJOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4O/c1-2-3-14(4-5-15)8-7(10)6-12-9(11)13-8/h6,15H,2-5H2,1H3,(H2,11,12,13).
What are the key properties of 2-[(2-amino-5-fluoropyrimidin-4-yl)-propylamino]ethanol?
2-[(2-amino-5-fluoropyrimidin-4-yl)-propylamino]ethanol has a molecular weight of 214.24 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-fluoropyrimidin-4-yl)-propylamino]ethanol is sourced from PubChem (CID 80796328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).