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

C22H22F2N4 — CID 95806391

IUPAC5-(4-fluorophenyl)-4-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(Cc3ccc(F)cc3)C2)n1
InChIInChI=1S/C22H22F2N4/c23-18-7-3-15(4-8-18)13-28-11-1-2-17(14-28)21-20(12-26-22(25)27-21)16-5-9-19(24)10-6-16/h3-10,12,17H,1-2,11,13-14H2,(H2,25,26,27)/t17-/m1/s1
InChIKeyMKYIJSUTFFPJJH-QGZVFWFLSA-N
MW380.44 g/mol
LogP4.38
Rot. Bonds4

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

5-(4-fluorophenyl)-4-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine (PubChem CID 95806391) has the molecular formula C22H22F2N4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
PubChem CID95806391
Molecular FormulaC22H22F2N4
Molecular Weight380.44 g/mol
Exact Mass380.18
IUPAC Name5-(4-fluorophenyl)-4-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(Cc3ccc(F)cc3)C2)n1
InChIInChI=1S/C22H22F2N4/c23-18-7-3-15(4-8-18)13-28-11-1-2-17(14-28)21-20(12-26-22(25)27-21)16-5-9-19(24)10-6-16/h3-10,12,17H,1-2,11,13-14H2,(H2,25,26,27)/t17-/m1/s1
InChIKeyMKYIJSUTFFPJJH-QGZVFWFLSA-N
XLogP4.38
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-amino-4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 110248773
4-[2-amino-4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 110248794
4-[2-amino-4-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 95806446
5-(3-fluorophenyl)-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 110248800
[(3S)-3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
CID 95806587
4-[(3S)-1-(1H-indol-5-ylmethyl)piperidin-3-yl]-5-(4-methoxyphenyl)pyrimidin-2-amine
CID 95806761
2-(4-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95818618
3-[2-amino-4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 110248793
5-(3-fluorophenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine
CID 110248785
2-methyl-5-pyridin-4-yl-4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidine
CID 110213955
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95823928
4-[2-amino-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 95806424

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-4-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine (CID 95806391) is 5-(4-fluorophenyl)-4-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-4-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-4-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine is Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(Cc3ccc(F)cc3)C2)n1.
What is the InChIKey of 5-(4-fluorophenyl)-4-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is MKYIJSUTFFPJJH-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H22F2N4/c23-18-7-3-15(4-8-18)13-28-11-1-2-17(14-28)21-20(12-26-22(25)27-21)16-5-9-19(24)10-6-16/h3-10,12,17H,1-2,11,13-14H2,(H2,25,26,27)/t17-/m1/s1.
What are the key properties of 5-(4-fluorophenyl)-4-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine?
5-(4-fluorophenyl)-4-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 380.44 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 95806391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).