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

C20H23FN4O — CID 95836927

IUPAC[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone
SMILESNc1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2C(=O)C2CCC2)n1
InChIInChI=1S/C20H23FN4O/c21-15-9-7-13(8-10-15)16-12-23-20(22)24-18(16)17-6-1-2-11-25(17)19(26)14-4-3-5-14/h7-10,12,14,17H,1-6,11H2,(H2,22,23,24)/t17-/m1/s1
InChIKeyQDMZGIZBUWRGJZ-QGZVFWFLSA-N
MW354.43 g/mol
LogP3.72
Rot. Bonds3

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

[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone (PubChem CID 95836927) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is [(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone
PubChem CID95836927
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone
SMILESNc1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2C(=O)C2CCC2)n1
InChIInChI=1S/C20H23FN4O/c21-15-9-7-13(8-10-15)16-12-23-20(22)24-18(16)17-6-1-2-11-25(17)19(26)14-4-3-5-14/h7-10,12,14,17H,1-6,11H2,(H2,22,23,24)/t17-/m1/s1
InChIKeyQDMZGIZBUWRGJZ-QGZVFWFLSA-N
XLogP3.72
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[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]-phenylmethanone
CID 95836728
[(2R)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95836745
1-[(2S)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95837026
1-[(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 95836984
[(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95836747
1-[(2S)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 95837207
[(3S)-3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
CID 95806587
[(2S)-2-[2-amino-5-(3-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
CID 95837004
1-[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 110253077
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

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone?
The IUPAC name of [(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone (CID 95836927) is [(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone is Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2C(=O)C2CCC2)n1.
What is the InChIKey of [(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone?
The InChIKey is QDMZGIZBUWRGJZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23FN4O/c21-15-9-7-13(8-10-15)16-12-23-20(22)24-18(16)17-6-1-2-11-25(17)19(26)14-4-3-5-14/h7-10,12,14,17H,1-6,11H2,(H2,22,23,24)/t17-/m1/s1.
What are the key properties of [(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone?
[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone has a molecular weight of 354.43 g/mol, XLogP of 3.72, 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-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 95836927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).