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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Related Compounds

2-(4-fluorophenyl)-1-[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110110349
4-[[(3S)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 124945248
[(3R)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone
CID 125012241
[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 110110902
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136765709
5-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 46960716
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidine
CID 110096175
2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92572827
3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(2-fluorophenyl)methyl]piperidine
CID 45218502
2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881151
4-[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136858529
4-cyclopropyl-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-methylpyrimidine
CID 163344168

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).