(2-amino-6-propan-2-ylpyrimidin-4-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone

C19H24FN5O — CID 24817216

IUPAC(2-amino-6-propan-2-ylpyrimidin-4-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCCC(Nc3ccc(F)cc3)C2)nc(N)n1
InChIInChI=1S/C19H24FN5O/c1-12(2)16-10-17(24-19(21)23-16)18(26)25-9-3-4-15(11-25)22-14-7-5-13(20)6-8-14/h5-8,10,12,15,22H,3-4,9,11H2,1-2H3,(H2,21,23,24)
InChIKeyFDJRNYXQWLDODD-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.04
Rot. Bonds4

About (2-amino-6-propan-2-ylpyrimidin-4-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone

(2-amino-6-propan-2-ylpyrimidin-4-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone (PubChem CID 24817216) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is (2-amino-6-propan-2-ylpyrimidin-4-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-6-propan-2-ylpyrimidin-4-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone
PubChem CID24817216
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name(2-amino-6-propan-2-ylpyrimidin-4-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCCC(Nc3ccc(F)cc3)C2)nc(N)n1
InChIInChI=1S/C19H24FN5O/c1-12(2)16-10-17(24-19(21)23-16)18(26)25-9-3-4-15(11-25)22-14-7-5-13(20)6-8-14/h5-8,10,12,15,22H,3-4,9,11H2,1-2H3,(H2,21,23,24)
InChIKeyFDJRNYXQWLDODD-UHFFFAOYSA-N
XLogP3.04
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-amino-6-propan-2-ylpyrimidin-4-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone?
The IUPAC name of (2-amino-6-propan-2-ylpyrimidin-4-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone (CID 24817216) is (2-amino-6-propan-2-ylpyrimidin-4-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-6-propan-2-ylpyrimidin-4-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-6-propan-2-ylpyrimidin-4-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone is CC(C)c1cc(C(=O)N2CCCC(Nc3ccc(F)cc3)C2)nc(N)n1.
What is the InChIKey of (2-amino-6-propan-2-ylpyrimidin-4-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone?
The InChIKey is FDJRNYXQWLDODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-12(2)16-10-17(24-19(21)23-16)18(26)25-9-3-4-15(11-25)22-14-7-5-13(20)6-8-14/h5-8,10,12,15,22H,3-4,9,11H2,1-2H3,(H2,21,23,24).
What are the key properties of (2-amino-6-propan-2-ylpyrimidin-4-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone?
(2-amino-6-propan-2-ylpyrimidin-4-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone has a molecular weight of 357.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-propan-2-ylpyrimidin-4-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 24817216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).