1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-3-ol

C12H19FN4O — CID 80779099

IUPAC1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-3-ol
SMILESCCCNc1ncc(F)c(N2CCCC(O)C2)n1
InChIInChI=1S/C12H19FN4O/c1-2-5-14-12-15-7-10(13)11(16-12)17-6-3-4-9(18)8-17/h7,9,18H,2-6,8H2,1H3,(H,14,15,16)
InChIKeyVJYXBMHMGAUWRZ-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.40
Rot. Bonds4

About 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-3-ol

1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-3-ol (PubChem CID 80779099) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-3-ol
PubChem CID80779099
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC Name1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-3-ol
SMILESCCCNc1ncc(F)c(N2CCCC(O)C2)n1
InChIInChI=1S/C12H19FN4O/c1-2-5-14-12-15-7-10(13)11(16-12)17-6-3-4-9(18)8-17/h7,9,18H,2-6,8H2,1H3,(H,14,15,16)
InChIKeyVJYXBMHMGAUWRZ-UHFFFAOYSA-N
XLogP1.40
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-3-ol (CID 80779099) is 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-3-ol is CCCNc1ncc(F)c(N2CCCC(O)C2)n1.
What is the InChIKey of 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is VJYXBMHMGAUWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-2-5-14-12-15-7-10(13)11(16-12)17-6-3-4-9(18)8-17/h7,9,18H,2-6,8H2,1H3,(H,14,15,16).
What are the key properties of 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-3-ol?
1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 254.31 g/mol, XLogP of 1.40, 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]piperidin-3-ol is sourced from PubChem (CID 80779099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).