[1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol

C13H21FN4O — CID 80756193

IUPAC[1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
SMILESCCCNc1ncc(F)c(N2CCC(CO)CC2)n1
InChIInChI=1S/C13H21FN4O/c1-2-5-15-13-16-8-11(14)12(17-13)18-6-3-10(9-19)4-7-18/h8,10,19H,2-7,9H2,1H3,(H,15,16,17)
InChIKeyPJFRDDNILJHISM-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.65
Rot. Bonds5

About [1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol

[1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol (PubChem CID 80756193) has the molecular formula C13H21FN4O and a molecular weight of 268.34 g/mol. Its IUPAC name is [1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
PubChem CID80756193
Molecular FormulaC13H21FN4O
Molecular Weight268.34 g/mol
Exact Mass268.17
IUPAC Name[1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
SMILESCCCNc1ncc(F)c(N2CCC(CO)CC2)n1
InChIInChI=1S/C13H21FN4O/c1-2-5-15-13-16-8-11(14)12(17-13)18-6-3-10(9-19)4-7-18/h8,10,19H,2-7,9H2,1H3,(H,15,16,17)
InChIKeyPJFRDDNILJHISM-UHFFFAOYSA-N
XLogP1.65
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol (CID 80756193) is [1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol is CCCNc1ncc(F)c(N2CCC(CO)CC2)n1.
What is the InChIKey of [1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol?
The InChIKey is PJFRDDNILJHISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4O/c1-2-5-15-13-16-8-11(14)12(17-13)18-6-3-10(9-19)4-7-18/h8,10,19H,2-7,9H2,1H3,(H,15,16,17).
What are the key properties of [1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol?
[1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol has a molecular weight of 268.34 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 80756193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).