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

C11H17FN4O — CID 80756041

IUPAC[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
SMILESCNc1ncc(F)c(N2CCC(CO)CC2)n1
InChIInChI=1S/C11H17FN4O/c1-13-11-14-6-9(12)10(15-11)16-4-2-8(7-17)3-5-16/h6,8,17H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyZBULHANWQJMMNP-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.87
Rot. Bonds3

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

[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol (PubChem CID 80756041) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
PubChem CID80756041
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
SMILESCNc1ncc(F)c(N2CCC(CO)CC2)n1
InChIInChI=1S/C11H17FN4O/c1-13-11-14-6-9(12)10(15-11)16-4-2-8(7-17)3-5-16/h6,8,17H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyZBULHANWQJMMNP-UHFFFAOYSA-N
XLogP0.87
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.87
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-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol (CID 80756041) is [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol is CNc1ncc(F)c(N2CCC(CO)CC2)n1.
What is the InChIKey of [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol?
The InChIKey is ZBULHANWQJMMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-13-11-14-6-9(12)10(15-11)16-4-2-8(7-17)3-5-16/h6,8,17H,2-5,7H2,1H3,(H,13,14,15).
What are the key properties of [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol?
[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol has a molecular weight of 240.28 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 80756041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).