N-(2,3-dimethylphenyl)-5-fluoro-2-piperidin-1-ylpyrimidin-4-amine

C17H21FN4 — CID 745183

IUPACN-(2,3-dimethylphenyl)-5-fluoro-2-piperidin-1-ylpyrimidin-4-amine
SMILESCc1cccc(Nc2nc(N3CCCCC3)ncc2F)c1C
InChIInChI=1S/C17H21FN4/c1-12-7-6-8-15(13(12)2)20-16-14(18)11-19-17(21-16)22-9-4-3-5-10-22/h6-8,11H,3-5,9-10H2,1-2H3,(H,19,20,21)
InChIKeyKUIFGZDOYYNCQN-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.97
Rot. Bonds3

About N-(2,3-dimethylphenyl)-5-fluoro-2-piperidin-1-ylpyrimidin-4-amine

N-(2,3-dimethylphenyl)-5-fluoro-2-piperidin-1-ylpyrimidin-4-amine (PubChem CID 745183) has the molecular formula C17H21FN4 and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-5-fluoro-2-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-5-fluoro-2-piperidin-1-ylpyrimidin-4-amine
PubChem CID745183
Molecular FormulaC17H21FN4
Molecular Weight300.38 g/mol
Exact Mass300.18
IUPAC NameN-(2,3-dimethylphenyl)-5-fluoro-2-piperidin-1-ylpyrimidin-4-amine
SMILESCc1cccc(Nc2nc(N3CCCCC3)ncc2F)c1C
InChIInChI=1S/C17H21FN4/c1-12-7-6-8-15(13(12)2)20-16-14(18)11-19-17(21-16)22-9-4-3-5-10-22/h6-8,11H,3-5,9-10H2,1-2H3,(H,19,20,21)
InChIKeyKUIFGZDOYYNCQN-UHFFFAOYSA-N
XLogP3.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-5-fluoro-2-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(2,3-dimethylphenyl)-5-fluoro-2-piperidin-1-ylpyrimidin-4-amine (CID 745183) is N-(2,3-dimethylphenyl)-5-fluoro-2-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dimethylphenyl)-5-fluoro-2-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(2,3-dimethylphenyl)-5-fluoro-2-piperidin-1-ylpyrimidin-4-amine is Cc1cccc(Nc2nc(N3CCCCC3)ncc2F)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-5-fluoro-2-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is KUIFGZDOYYNCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4/c1-12-7-6-8-15(13(12)2)20-16-14(18)11-19-17(21-16)22-9-4-3-5-10-22/h6-8,11H,3-5,9-10H2,1-2H3,(H,19,20,21).
What are the key properties of N-(2,3-dimethylphenyl)-5-fluoro-2-piperidin-1-ylpyrimidin-4-amine?
N-(2,3-dimethylphenyl)-5-fluoro-2-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 300.38 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-5-fluoro-2-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 745183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).