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

C22H21FN4O — CID 95836745

IUPAC[(2R)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESNc1ncc(-c2ccccc2)c([C@H]2CCCCN2C(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C22H21FN4O/c23-17-11-9-16(10-12-17)21(28)27-13-5-4-8-19(27)20-18(14-25-22(24)26-20)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,19H,4-5,8,13H2,(H2,24,25,26)/t19-/m1/s1
InChIKeyWQXKMLWWRXBFQP-LJQANCHMSA-N
MW376.44 g/mol
LogP4.23
Rot. Bonds3

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

[(2R)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 95836745) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is [(2R)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID95836745
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name[(2R)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESNc1ncc(-c2ccccc2)c([C@H]2CCCCN2C(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C22H21FN4O/c23-17-11-9-16(10-12-17)21(28)27-13-5-4-8-19(27)20-18(14-25-22(24)26-20)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,19H,4-5,8,13H2,(H2,24,25,26)/t19-/m1/s1
InChIKeyWQXKMLWWRXBFQP-LJQANCHMSA-N
XLogP4.23
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 95836728
[(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95836747
[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 110266755
4-[2-amino-4-(1-benzoylpiperidin-2-yl)pyrimidin-5-yl]benzamide
CID 110266760
4-[2-amino-4-[(2R)-1-benzoylpiperidin-2-yl]pyrimidin-5-yl]benzamide
CID 95836742
[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone
CID 95814883
[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone
CID 95836927
[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 110253139
1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 110266748
5-[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 95815176
[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95836884
1-[(2R)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95837037

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [(2R)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-(4-fluorophenyl)methanone (CID 95836745) is [(2R)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [(2R)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [(2R)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-(4-fluorophenyl)methanone is Nc1ncc(-c2ccccc2)c([C@H]2CCCCN2C(=O)c2ccc(F)cc2)n1.
What is the InChIKey of [(2R)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is WQXKMLWWRXBFQP-LJQANCHMSA-N. The full InChI is InChI=1S/C22H21FN4O/c23-17-11-9-16(10-12-17)21(28)27-13-5-4-8-19(27)20-18(14-25-22(24)26-20)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,19H,4-5,8,13H2,(H2,24,25,26)/t19-/m1/s1.
What are the key properties of [(2R)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
[(2R)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 376.44 g/mol, XLogP of 4.23, 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-phenylpyrimidin-4-yl)piperidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 95836745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).