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

C23H25FN4 — CID 110248785

IUPAC5-(3-fluorophenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2cccc(F)c2)c(C2CCCN(CCc3ccccc3)C2)n1
InChIInChI=1S/C23H25FN4/c24-20-10-4-8-18(14-20)21-15-26-23(25)27-22(21)19-9-5-12-28(16-19)13-11-17-6-2-1-3-7-17/h1-4,6-8,10,14-15,19H,5,9,11-13,16H2,(H2,25,26,27)
InChIKeyYGVOTNAVRQLMTM-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.29
Rot. Bonds5

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

5-(3-fluorophenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine (PubChem CID 110248785) has the molecular formula C23H25FN4 and a molecular weight of 376.48 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine
PubChem CID110248785
Molecular FormulaC23H25FN4
Molecular Weight376.48 g/mol
Exact Mass376.21
IUPAC Name5-(3-fluorophenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2cccc(F)c2)c(C2CCCN(CCc3ccccc3)C2)n1
InChIInChI=1S/C23H25FN4/c24-20-10-4-8-18(14-20)21-15-26-23(25)27-22(21)19-9-5-12-28(16-19)13-11-17-6-2-1-3-7-17/h1-4,6-8,10,14-15,19H,5,9,11-13,16H2,(H2,25,26,27)
InChIKeyYGVOTNAVRQLMTM-UHFFFAOYSA-N
XLogP4.29
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-fluorophenyl)-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 110248800
1-[(3R)-3-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-phenylethanone
CID 95806485
4-[2-amino-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 95806424
5-[2-methyl-6-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine
CID 95813876
3-[2-amino-4-[(3R)-1-(2-phenylmethoxyethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 95816721
3-[2-amino-4-[1-(2-phenylmethoxyethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 110254010
1-[(3S)-3-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95806568
5-(4-fluorophenyl)-4-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 95806391
1-[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 95815204
[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone
CID 95814883
5-(3-fluorophenyl)-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-amine
CID 110266907
3-[2-amino-4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 110248793

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 5-(3-fluorophenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine (CID 110248785) is 5-(3-fluorophenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 5-(3-fluorophenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine is Nc1ncc(-c2cccc(F)c2)c(C2CCCN(CCc3ccccc3)C2)n1.
What is the InChIKey of 5-(3-fluorophenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is YGVOTNAVRQLMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4/c24-20-10-4-8-18(14-20)21-15-26-23(25)27-22(21)19-9-5-12-28(16-19)13-11-17-6-2-1-3-7-17/h1-4,6-8,10,14-15,19H,5,9,11-13,16H2,(H2,25,26,27).
What are the key properties of 5-(3-fluorophenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine?
5-(3-fluorophenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 376.48 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 110248785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).