5-[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one

C21H20FN5O2 — CID 95815176

IUPAC5-[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1cc(C(=O)N2CCC[C@@H]2c2nc(N)ncc2-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C21H20FN5O2/c1-26-12-14(6-9-18(26)28)20(29)27-10-2-3-17(27)19-16(11-24-21(23)25-19)13-4-7-15(22)8-5-13/h4-9,11-12,17H,2-3,10H2,1H3,(H2,23,24,25)/t17-/m1/s1
InChIKeyJSZHWZVGOFTSJR-QGZVFWFLSA-N
MW393.42 g/mol
LogP2.54
Rot. Bonds3

About 5-[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one

5-[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 95815176) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 5-[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID95815176
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name5-[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1cc(C(=O)N2CCC[C@@H]2c2nc(N)ncc2-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C21H20FN5O2/c1-26-12-14(6-9-18(26)28)20(29)27-10-2-3-17(27)19-16(11-24-21(23)25-19)13-4-7-15(22)8-5-13/h4-9,11-12,17H,2-3,10H2,1H3,(H2,23,24,25)/t17-/m1/s1
InChIKeyJSZHWZVGOFTSJR-QGZVFWFLSA-N
XLogP2.54
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-phenylpyrimidin-4-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95836745
[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
[(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95836747
5-[(3R)-3-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 95806697
[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone
CID 95814883
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
[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone
CID 110151413
5-[2-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 70770514
1-[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 110253077

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one (CID 95815176) is 5-[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one is Cn1cc(C(=O)N2CCC[C@@H]2c2nc(N)ncc2-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of 5-[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is JSZHWZVGOFTSJR-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-26-12-14(6-9-18(26)28)20(29)27-10-2-3-17(27)19-16(11-24-21(23)25-19)13-4-7-15(22)8-5-13/h4-9,11-12,17H,2-3,10H2,1H3,(H2,23,24,25)/t17-/m1/s1.
What are the key properties of 5-[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
5-[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 393.42 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 95815176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).