4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidine

C21H24FN5 — CID 110109889

IUPAC4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidine
SMILESCc1nc(-c2ncc(C)[nH]2)cc(C2CCCN(Cc3ccccc3F)C2)n1
InChIInChI=1S/C21H24FN5/c1-14-11-23-21(24-14)20-10-19(25-15(2)26-20)17-7-5-9-27(13-17)12-16-6-3-4-8-18(16)22/h3-4,6,8,10-11,17H,5,7,9,12-13H2,1-2H3,(H,23,24)
InChIKeyHLABVOMIDUOOHK-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.00
Rot. Bonds4

About 4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidine

4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidine (PubChem CID 110109889) has the molecular formula C21H24FN5 and a molecular weight of 365.46 g/mol. Its IUPAC name is 4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidine.

Molecular Properties

Compound Name4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidine
PubChem CID110109889
Molecular FormulaC21H24FN5
Molecular Weight365.46 g/mol
Exact Mass365.20
IUPAC Name4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidine
SMILESCc1nc(-c2ncc(C)[nH]2)cc(C2CCCN(Cc3ccccc3F)C2)n1
InChIInChI=1S/C21H24FN5/c1-14-11-23-21(24-14)20-10-19(25-15(2)26-20)17-7-5-9-27(13-17)12-16-6-3-4-8-18(16)22/h3-4,6,8,10-11,17H,5,7,9,12-13H2,1-2H3,(H,23,24)
InChIKeyHLABVOMIDUOOHK-UHFFFAOYSA-N
XLogP4.00
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidine?
The IUPAC name of 4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidine (CID 110109889) is 4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidine.
What is the SMILES notation for 4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidine?
The canonical SMILES for 4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidine is Cc1nc(-c2ncc(C)[nH]2)cc(C2CCCN(Cc3ccccc3F)C2)n1.
What is the InChIKey of 4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidine?
The InChIKey is HLABVOMIDUOOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5/c1-14-11-23-21(24-14)20-10-19(25-15(2)26-20)17-7-5-9-27(13-17)12-16-6-3-4-8-18(16)22/h3-4,6,8,10-11,17H,5,7,9,12-13H2,1-2H3,(H,23,24).
What are the key properties of 4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidine?
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidine has a molecular weight of 365.46 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidine is sourced from PubChem (CID 110109889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).