5-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)pyrimidine

C20H22FN5 — CID 46951518

IUPAC5-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)pyrimidine
SMILESCC1CCCN(c2ncc(-c3ccccc3F)c(-c3nccn3C)n2)C1
InChIInChI=1S/C20H22FN5/c1-14-6-5-10-26(13-14)20-23-12-16(15-7-3-4-8-17(15)21)18(24-20)19-22-9-11-25(19)2/h3-4,7-9,11-12,14H,5-6,10,13H2,1-2H3
InChIKeyQSFKCSQGTCDWPI-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.92
Rot. Bonds3

About 5-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)pyrimidine

5-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)pyrimidine (PubChem CID 46951518) has the molecular formula C20H22FN5 and a molecular weight of 351.43 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)pyrimidine
PubChem CID46951518
Molecular FormulaC20H22FN5
Molecular Weight351.43 g/mol
Exact Mass351.19
IUPAC Name5-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)pyrimidine
SMILESCC1CCCN(c2ncc(-c3ccccc3F)c(-c3nccn3C)n2)C1
InChIInChI=1S/C20H22FN5/c1-14-6-5-10-26(13-14)20-23-12-16(15-7-3-4-8-17(15)21)18(24-20)19-22-9-11-25(19)2/h3-4,7-9,11-12,14H,5-6,10,13H2,1-2H3
InChIKeyQSFKCSQGTCDWPI-UHFFFAOYSA-N
XLogP3.92
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)pyrimidine?
The IUPAC name of 5-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)pyrimidine (CID 46951518) is 5-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 5-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 5-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)pyrimidine is CC1CCCN(c2ncc(-c3ccccc3F)c(-c3nccn3C)n2)C1.
What is the InChIKey of 5-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)pyrimidine?
The InChIKey is QSFKCSQGTCDWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5/c1-14-6-5-10-26(13-14)20-23-12-16(15-7-3-4-8-17(15)21)18(24-20)19-22-9-11-25(19)2/h3-4,7-9,11-12,14H,5-6,10,13H2,1-2H3.
What are the key properties of 5-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)pyrimidine?
5-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)pyrimidine has a molecular weight of 351.43 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 46951518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).