[(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-fluorophenyl)methanone

C22H20F2N4O — CID 95836747

IUPAC[(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESNc1ncc(-c2cccc(F)c2)c([C@H]2CCCCN2C(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C22H20F2N4O/c23-16-9-7-14(8-10-16)21(29)28-11-2-1-6-19(28)20-18(13-26-22(25)27-20)15-4-3-5-17(24)12-15/h3-5,7-10,12-13,19H,1-2,6,11H2,(H2,25,26,27)/t19-/m1/s1
InChIKeyJEZZWJBLMDOJCN-LJQANCHMSA-N
MW394.43 g/mol
LogP4.37
Rot. Bonds3

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

[(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 95836747) has the molecular formula C22H20F2N4O and a molecular weight of 394.43 g/mol. Its IUPAC name is [(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID95836747
Molecular FormulaC22H20F2N4O
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name[(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESNc1ncc(-c2cccc(F)c2)c([C@H]2CCCCN2C(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C22H20F2N4O/c23-16-9-7-14(8-10-16)21(29)28-11-2-1-6-19(28)20-18(13-26-22(25)27-20)15-4-3-5-17(24)12-15/h3-5,7-10,12-13,19H,1-2,6,11H2,(H2,25,26,27)/t19-/m1/s1
InChIKeyJEZZWJBLMDOJCN-LJQANCHMSA-N
XLogP4.37
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 110266755
[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone
CID 95814883
[(2R)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95836745
[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95836884
[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 95836728
[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110253092
[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 110253139
[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone
CID 95836927
1-[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 95815204
1-[(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 95815187
2-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]acetamide
CID 118740239
1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 110253101

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-fluorophenyl)methanone (CID 95836747) is [(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-fluorophenyl)methanone is Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCCN2C(=O)c2ccc(F)cc2)n1.
What is the InChIKey of [(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is JEZZWJBLMDOJCN-LJQANCHMSA-N. The full InChI is InChI=1S/C22H20F2N4O/c23-16-9-7-14(8-10-16)21(29)28-11-2-1-6-19(28)20-18(13-26-22(25)27-20)15-4-3-5-17(24)12-15/h3-5,7-10,12-13,19H,1-2,6,11H2,(H2,25,26,27)/t19-/m1/s1.
What are the key properties of [(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
[(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 394.43 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 95836747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).