4-(3,5-dimethylpiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine

C12H19FN4 — CID 80767529

IUPAC4-(3,5-dimethylpiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CC(C)CC(C)C2)n1
InChIInChI=1S/C12H19FN4/c1-8-4-9(2)7-17(6-8)11-10(13)5-15-12(14-3)16-11/h5,8-9H,4,6-7H2,1-3H3,(H,14,15,16)
InChIKeyLGDCQLQSLSHFCN-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.14
Rot. Bonds2

About 4-(3,5-dimethylpiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine

4-(3,5-dimethylpiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 80767529) has the molecular formula C12H19FN4 and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID80767529
Molecular FormulaC12H19FN4
Molecular Weight238.31 g/mol
Exact Mass238.16
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CC(C)CC(C)C2)n1
InChIInChI=1S/C12H19FN4/c1-8-4-9(2)7-17(6-8)11-10(13)5-15-12(14-3)16-11/h5,8-9H,4,6-7H2,1-3H3,(H,14,15,16)
InChIKeyLGDCQLQSLSHFCN-UHFFFAOYSA-N
XLogP2.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine (CID 80767529) is 4-(3,5-dimethylpiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine is CNc1ncc(F)c(N2CC(C)CC(C)C2)n1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is LGDCQLQSLSHFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4/c1-8-4-9(2)7-17(6-8)11-10(13)5-15-12(14-3)16-11/h5,8-9H,4,6-7H2,1-3H3,(H,14,15,16).
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine?
4-(3,5-dimethylpiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 238.31 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80767529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).