5-(3-fluorophenyl)-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine

C21H22FN5 — CID 110248800

IUPAC5-(3-fluorophenyl)-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2cccc(F)c2)c(C2CCCN(Cc3cccnc3)C2)n1
InChIInChI=1S/C21H22FN5/c22-18-7-1-5-16(10-18)19-12-25-21(23)26-20(19)17-6-3-9-27(14-17)13-15-4-2-8-24-11-15/h1-2,4-5,7-8,10-12,17H,3,6,9,13-14H2,(H2,23,25,26)
InChIKeyOEHXYXMMEAGTNM-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.64
Rot. Bonds4

About 5-(3-fluorophenyl)-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine

5-(3-fluorophenyl)-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine (PubChem CID 110248800) has the molecular formula C21H22FN5 and a molecular weight of 363.44 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
PubChem CID110248800
Molecular FormulaC21H22FN5
Molecular Weight363.44 g/mol
Exact Mass363.19
IUPAC Name5-(3-fluorophenyl)-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2cccc(F)c2)c(C2CCCN(Cc3cccnc3)C2)n1
InChIInChI=1S/C21H22FN5/c22-18-7-1-5-16(10-18)19-12-25-21(23)26-20(19)17-6-3-9-27(14-17)13-15-4-2-8-24-11-15/h1-2,4-5,7-8,10-12,17H,3,6,9,13-14H2,(H2,23,25,26)
InChIKeyOEHXYXMMEAGTNM-UHFFFAOYSA-N
XLogP3.64
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-fluorophenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine
CID 110248785
5-(4-fluorophenyl)-4-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 95806391
1-[(3R)-3-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-phenylethanone
CID 95806485
2-[(3-fluorophenyl)methyl]-6-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 95809203
3-[2-amino-4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 110248793
1-[(3S)-3-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95806568
[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110253092
2-(3-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809146
4-[2-amino-4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 110248773
5-(3-fluorophenyl)-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-amine
CID 110266907
5-(3-fluorophenyl)-4-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine
CID 110266628
4-[2-amino-4-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 95806446

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 5-(3-fluorophenyl)-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine (CID 110248800) is 5-(3-fluorophenyl)-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 5-(3-fluorophenyl)-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine is Nc1ncc(-c2cccc(F)c2)c(C2CCCN(Cc3cccnc3)C2)n1.
What is the InChIKey of 5-(3-fluorophenyl)-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is OEHXYXMMEAGTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5/c22-18-7-1-5-16(10-18)19-12-25-21(23)26-20(19)17-6-3-9-27(14-17)13-15-4-2-8-24-11-15/h1-2,4-5,7-8,10-12,17H,3,6,9,13-14H2,(H2,23,25,26).
What are the key properties of 5-(3-fluorophenyl)-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine?
5-(3-fluorophenyl)-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 363.44 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 110248800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).