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

C13H21FN4O — CID 81108114

IUPAC1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
SMILESCCCNc1ncc(F)c(N2CCC(C)(O)CC2)n1
InChIInChI=1S/C13H21FN4O/c1-3-6-15-12-16-9-10(14)11(17-12)18-7-4-13(2,19)5-8-18/h9,19H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyOHGGDERBKFDNLA-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.79
Rot. Bonds4

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

1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol (PubChem CID 81108114) 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]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
PubChem CID81108114
Molecular FormulaC13H21FN4O
Molecular Weight268.34 g/mol
Exact Mass268.17
IUPAC Name1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
SMILESCCCNc1ncc(F)c(N2CCC(C)(O)CC2)n1
InChIInChI=1S/C13H21FN4O/c1-3-6-15-12-16-9-10(14)11(17-12)18-7-4-13(2,19)5-8-18/h9,19H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyOHGGDERBKFDNLA-UHFFFAOYSA-N
XLogP1.79
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.79
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]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol (CID 81108114) is 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol is CCCNc1ncc(F)c(N2CCC(C)(O)CC2)n1.
What is the InChIKey of 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol?
The InChIKey is OHGGDERBKFDNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4O/c1-3-6-15-12-16-9-10(14)11(17-12)18-7-4-13(2,19)5-8-18/h9,19H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol?
1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol has a molecular weight of 268.34 g/mol, XLogP of 1.79, 4 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]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81108114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).