3-[6-(4,4-difluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]cyclobutan-1-amine

C14H20F2N4 — CID 91796183

IUPAC3-[6-(4,4-difluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]cyclobutan-1-amine
SMILESCc1nc(C2CC(N)C2)cc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C14H20F2N4/c1-9-18-12(10-6-11(17)7-10)8-13(19-9)20-4-2-14(15,16)3-5-20/h8,10-11H,2-7,17H2,1H3
InChIKeyAWEHICAZKVEJPR-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.23
Rot. Bonds2

About 3-[6-(4,4-difluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]cyclobutan-1-amine

3-[6-(4,4-difluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]cyclobutan-1-amine (PubChem CID 91796183) has the molecular formula C14H20F2N4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[6-(4,4-difluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[6-(4,4-difluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]cyclobutan-1-amine
PubChem CID91796183
Molecular FormulaC14H20F2N4
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name3-[6-(4,4-difluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]cyclobutan-1-amine
SMILESCc1nc(C2CC(N)C2)cc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C14H20F2N4/c1-9-18-12(10-6-11(17)7-10)8-13(19-9)20-4-2-14(15,16)3-5-20/h8,10-11H,2-7,17H2,1H3
InChIKeyAWEHICAZKVEJPR-UHFFFAOYSA-N
XLogP2.23
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4,4-difluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]cyclobutan-1-amine?
The IUPAC name of 3-[6-(4,4-difluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]cyclobutan-1-amine (CID 91796183) is 3-[6-(4,4-difluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[6-(4,4-difluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[6-(4,4-difluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]cyclobutan-1-amine is Cc1nc(C2CC(N)C2)cc(N2CCC(F)(F)CC2)n1.
What is the InChIKey of 3-[6-(4,4-difluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]cyclobutan-1-amine?
The InChIKey is AWEHICAZKVEJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4/c1-9-18-12(10-6-11(17)7-10)8-13(19-9)20-4-2-14(15,16)3-5-20/h8,10-11H,2-7,17H2,1H3.
What are the key properties of 3-[6-(4,4-difluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]cyclobutan-1-amine?
3-[6-(4,4-difluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]cyclobutan-1-amine has a molecular weight of 282.34 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4,4-difluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]cyclobutan-1-amine is sourced from PubChem (CID 91796183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).