6-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-(5-fluoro-2-pyridinyl)pyridin-3-amine

C21H23FN6 — CID 95834167

IUPAC6-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-(5-fluoro-2-pyridinyl)pyridin-3-amine
SMILESCc1cc(N2CCC(c3ccc(Nc4ccc(F)cn4)cn3)CC2)nc(C)n1
InChIInChI=1S/C21H23FN6/c1-14-11-21(26-15(2)25-14)28-9-7-16(8-10-28)19-5-4-18(13-23-19)27-20-6-3-17(22)12-24-20/h3-6,11-13,16H,7-10H2,1-2H3,(H,24,27)
InChIKeyGIERHTUAEUJUKQ-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.15
Rot. Bonds4

About 6-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-(5-fluoro-2-pyridinyl)pyridin-3-amine

6-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-(5-fluoro-2-pyridinyl)pyridin-3-amine (PubChem CID 95834167) has the molecular formula C21H23FN6 and a molecular weight of 378.46 g/mol. Its IUPAC name is 6-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-(5-fluoro-2-pyridinyl)pyridin-3-amine.

Molecular Properties

Compound Name6-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-(5-fluoro-2-pyridinyl)pyridin-3-amine
PubChem CID95834167
Molecular FormulaC21H23FN6
Molecular Weight378.46 g/mol
Exact Mass378.20
IUPAC Name6-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-(5-fluoro-2-pyridinyl)pyridin-3-amine
SMILESCc1cc(N2CCC(c3ccc(Nc4ccc(F)cn4)cn3)CC2)nc(C)n1
InChIInChI=1S/C21H23FN6/c1-14-11-21(26-15(2)25-14)28-9-7-16(8-10-28)19-5-4-18(13-23-19)27-20-6-3-17(22)12-24-20/h3-6,11-13,16H,7-10H2,1-2H3,(H,24,27)
InChIKeyGIERHTUAEUJUKQ-UHFFFAOYSA-N
XLogP4.15
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-(5-fluoro-2-pyridinyl)pyridin-3-amine?
The IUPAC name of 6-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-(5-fluoro-2-pyridinyl)pyridin-3-amine (CID 95834167) is 6-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-(5-fluoro-2-pyridinyl)pyridin-3-amine.
What is the SMILES notation for 6-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-(5-fluoro-2-pyridinyl)pyridin-3-amine?
The canonical SMILES for 6-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-(5-fluoro-2-pyridinyl)pyridin-3-amine is Cc1cc(N2CCC(c3ccc(Nc4ccc(F)cn4)cn3)CC2)nc(C)n1.
What is the InChIKey of 6-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-(5-fluoro-2-pyridinyl)pyridin-3-amine?
The InChIKey is GIERHTUAEUJUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6/c1-14-11-21(26-15(2)25-14)28-9-7-16(8-10-28)19-5-4-18(13-23-19)27-20-6-3-17(22)12-24-20/h3-6,11-13,16H,7-10H2,1-2H3,(H,24,27).
What are the key properties of 6-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-(5-fluoro-2-pyridinyl)pyridin-3-amine?
6-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-(5-fluoro-2-pyridinyl)pyridin-3-amine has a molecular weight of 378.46 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-(5-fluoro-2-pyridinyl)pyridin-3-amine is sourced from PubChem (CID 95834167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).