1-[(2S)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one

C17H21N5O — CID 129368237

IUPAC1-[(2S)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
SMILESCc1cc(N[C@@H](C)CN2CCCC2=O)nc(-c2ccncc2)n1
InChIInChI=1S/C17H21N5O/c1-12-10-15(19-13(2)11-22-9-3-4-16(22)23)21-17(20-12)14-5-7-18-8-6-14/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,19,20,21)/t13-/m0/s1
InChIKeyXHEVYNSJDQFDEB-ZDUSSCGKSA-N
MW311.39 g/mol
LogP2.27
Rot. Bonds5

About 1-[(2S)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one

1-[(2S)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one (PubChem CID 129368237) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-[(2S)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
PubChem CID129368237
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name1-[(2S)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
SMILESCc1cc(N[C@@H](C)CN2CCCC2=O)nc(-c2ccncc2)n1
InChIInChI=1S/C17H21N5O/c1-12-10-15(19-13(2)11-22-9-3-4-16(22)23)21-17(20-12)14-5-7-18-8-6-14/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,19,20,21)/t13-/m0/s1
InChIKeyXHEVYNSJDQFDEB-ZDUSSCGKSA-N
XLogP2.27
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2S)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one (CID 129368237) is 1-[(2S)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2S)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one is Cc1cc(N[C@@H](C)CN2CCCC2=O)nc(-c2ccncc2)n1.
What is the InChIKey of 1-[(2S)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
The InChIKey is XHEVYNSJDQFDEB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N5O/c1-12-10-15(19-13(2)11-22-9-3-4-16(22)23)21-17(20-12)14-5-7-18-8-6-14/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,19,20,21)/t13-/m0/s1.
What are the key properties of 1-[(2S)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
1-[(2S)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one has a molecular weight of 311.39 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 129368237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).