2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]ethanol

C10H16FN3O — CID 103703324

IUPAC2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1ncnc(C)c1F
InChIInChI=1S/C10H16FN3O/c1-3-4-14(5-6-15)10-9(11)8(2)12-7-13-10/h7,15H,3-6H2,1-2H3
InChIKeyPOSMNQSEOFOSIK-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.13
Rot. Bonds5

About 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]ethanol

2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]ethanol (PubChem CID 103703324) has the molecular formula C10H16FN3O and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]ethanol.

Molecular Properties

Compound Name2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]ethanol
PubChem CID103703324
Molecular FormulaC10H16FN3O
Molecular Weight213.26 g/mol
Exact Mass213.13
IUPAC Name2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1ncnc(C)c1F
InChIInChI=1S/C10H16FN3O/c1-3-4-14(5-6-15)10-9(11)8(2)12-7-13-10/h7,15H,3-6H2,1-2H3
InChIKeyPOSMNQSEOFOSIK-UHFFFAOYSA-N
XLogP1.13
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]ethanol?
The IUPAC name of 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]ethanol (CID 103703324) is 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]ethanol.
What is the SMILES notation for 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]ethanol?
The canonical SMILES for 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]ethanol is CCCN(CCO)c1ncnc(C)c1F.
What is the InChIKey of 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]ethanol?
The InChIKey is POSMNQSEOFOSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O/c1-3-4-14(5-6-15)10-9(11)8(2)12-7-13-10/h7,15H,3-6H2,1-2H3.
What are the key properties of 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]ethanol?
2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]ethanol has a molecular weight of 213.26 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]ethanol is sourced from PubChem (CID 103703324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).