1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol

C11H17FN4O — CID 81109107

IUPAC1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
SMILESCNc1ncc(F)c(N2CCC(C)(O)CC2)n1
InChIInChI=1S/C11H17FN4O/c1-11(17)3-5-16(6-4-11)9-8(12)7-14-10(13-2)15-9/h7,17H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyIRNJSTASLXKKEM-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.01
Rot. Bonds2

About 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol

1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol (PubChem CID 81109107) 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]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
PubChem CID81109107
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
SMILESCNc1ncc(F)c(N2CCC(C)(O)CC2)n1
InChIInChI=1S/C11H17FN4O/c1-11(17)3-5-16(6-4-11)9-8(12)7-14-10(13-2)15-9/h7,17H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyIRNJSTASLXKKEM-UHFFFAOYSA-N
XLogP1.01
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.01
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]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol (CID 81109107) is 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol is CNc1ncc(F)c(N2CCC(C)(O)CC2)n1.
What is the InChIKey of 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol?
The InChIKey is IRNJSTASLXKKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-11(17)3-5-16(6-4-11)9-8(12)7-14-10(13-2)15-9/h7,17H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol?
1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol has a molecular weight of 240.28 g/mol, XLogP of 1.01, 2 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]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81109107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).