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

C20H22FN5 — CID 124968077

IUPAC2-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(1H-imidazol-2-yl)-6-methylpyrimidine
SMILESCc1cc(-c2ncc[nH]2)nc([C@H]2CCCN(Cc3ccc(F)cc3)C2)n1
InChIInChI=1S/C20H22FN5/c1-14-11-18(20-22-8-9-23-20)25-19(24-14)16-3-2-10-26(13-16)12-15-4-6-17(21)7-5-15/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,22,23)/t16-/m0/s1
InChIKeyIYCIGUUECRUHIN-INIZCTEOSA-N
MW351.43 g/mol
LogP3.69
Rot. Bonds4

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

2-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(1H-imidazol-2-yl)-6-methylpyrimidine (PubChem CID 124968077) has the molecular formula C20H22FN5 and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(1H-imidazol-2-yl)-6-methylpyrimidine.

Molecular Properties

Compound Name2-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(1H-imidazol-2-yl)-6-methylpyrimidine
PubChem CID124968077
Molecular FormulaC20H22FN5
Molecular Weight351.43 g/mol
Exact Mass351.19
IUPAC Name2-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(1H-imidazol-2-yl)-6-methylpyrimidine
SMILESCc1cc(-c2ncc[nH]2)nc([C@H]2CCCN(Cc3ccc(F)cc3)C2)n1
InChIInChI=1S/C20H22FN5/c1-14-11-18(20-22-8-9-23-20)25-19(24-14)16-3-2-10-26(13-16)12-15-4-6-17(21)7-5-15/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,22,23)/t16-/m0/s1
InChIKeyIYCIGUUECRUHIN-INIZCTEOSA-N
XLogP3.69
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110099625
1-[(4-fluorophenyl)methyl]-3-(1H-imidazol-2-yl)piperidine
CID 75512434
2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole
CID 92553706
5-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3,7-dimethylimidazo[1,5-c]pyrimidine
CID 124958622
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95823928
6-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
CID 86342240
7-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 118471737
4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136765779
2-(4-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95818618
N-[2-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95820330
3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
CID 46965629
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(1H-imidazol-2-yl)-6-methylpyrimidine?
The IUPAC name of 2-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(1H-imidazol-2-yl)-6-methylpyrimidine (CID 124968077) is 2-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(1H-imidazol-2-yl)-6-methylpyrimidine.
What is the SMILES notation for 2-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(1H-imidazol-2-yl)-6-methylpyrimidine?
The canonical SMILES for 2-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(1H-imidazol-2-yl)-6-methylpyrimidine is Cc1cc(-c2ncc[nH]2)nc([C@H]2CCCN(Cc3ccc(F)cc3)C2)n1.
What is the InChIKey of 2-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(1H-imidazol-2-yl)-6-methylpyrimidine?
The InChIKey is IYCIGUUECRUHIN-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22FN5/c1-14-11-18(20-22-8-9-23-20)25-19(24-14)16-3-2-10-26(13-16)12-15-4-6-17(21)7-5-15/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,22,23)/t16-/m0/s1.
What are the key properties of 2-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(1H-imidazol-2-yl)-6-methylpyrimidine?
2-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(1H-imidazol-2-yl)-6-methylpyrimidine has a molecular weight of 351.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(1H-imidazol-2-yl)-6-methylpyrimidine is sourced from PubChem (CID 124968077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).