4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine

C19H21FN6 — CID 22464113

IUPAC4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine
SMILESCN1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(N)n2)CC1
InChIInChI=1S/C19H21FN6/c1-25-10-7-15(8-11-25)26-12-23-17(13-2-4-14(20)5-3-13)18(26)16-6-9-22-19(21)24-16/h2-6,9,12,15H,7-8,10-11H2,1H3,(H2,21,22,24)
InChIKeySVRAGOOKTLUHES-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.00
Rot. Bonds3

About 4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine

4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine (PubChem CID 22464113) has the molecular formula C19H21FN6 and a molecular weight of 352.42 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine
PubChem CID22464113
Molecular FormulaC19H21FN6
Molecular Weight352.42 g/mol
Exact Mass352.18
IUPAC Name4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine
SMILESCN1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(N)n2)CC1
InChIInChI=1S/C19H21FN6/c1-25-10-7-15(8-11-25)26-12-23-17(13-2-4-14(20)5-3-13)18(26)16-6-9-22-19(21)24-16/h2-6,9,12,15H,7-8,10-11H2,1H3,(H2,21,22,24)
InChIKeySVRAGOOKTLUHES-UHFFFAOYSA-N
XLogP3.00
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine (CID 22464113) is 4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine is CN1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(N)n2)CC1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine?
The InChIKey is SVRAGOOKTLUHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6/c1-25-10-7-15(8-11-25)26-12-23-17(13-2-4-14(20)5-3-13)18(26)16-6-9-22-19(21)24-16/h2-6,9,12,15H,7-8,10-11H2,1H3,(H2,21,22,24).
What are the key properties of 4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine?
4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine has a molecular weight of 352.42 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 22464113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).