(4S)-1-ethyl-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]pyrrolidin-2-one

C16H19N5O — CID 95138091

IUPAC(4S)-1-ethyl-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCCN1C[C@@H](Nc2cc(C)nc(-c3cccnc3)n2)CC1=O
InChIInChI=1S/C16H19N5O/c1-3-21-10-13(8-15(21)22)19-14-7-11(2)18-16(20-14)12-5-4-6-17-9-12/h4-7,9,13H,3,8,10H2,1-2H3,(H,18,19,20)/t13-/m0/s1
InChIKeyUFNFVAHQLXUGPD-ZDUSSCGKSA-N
MW297.36 g/mol
LogP1.88
Rot. Bonds4

About (4S)-1-ethyl-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]pyrrolidin-2-one

(4S)-1-ethyl-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 95138091) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is (4S)-1-ethyl-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-ethyl-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]pyrrolidin-2-one
PubChem CID95138091
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name(4S)-1-ethyl-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCCN1C[C@@H](Nc2cc(C)nc(-c3cccnc3)n2)CC1=O
InChIInChI=1S/C16H19N5O/c1-3-21-10-13(8-15(21)22)19-14-7-11(2)18-16(20-14)12-5-4-6-17-9-12/h4-7,9,13H,3,8,10H2,1-2H3,(H,18,19,20)/t13-/m0/s1
InChIKeyUFNFVAHQLXUGPD-ZDUSSCGKSA-N
XLogP1.88
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-ethyl-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of (4S)-1-ethyl-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]pyrrolidin-2-one (CID 95138091) is (4S)-1-ethyl-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-ethyl-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-ethyl-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]pyrrolidin-2-one is CCN1C[C@@H](Nc2cc(C)nc(-c3cccnc3)n2)CC1=O.
What is the InChIKey of (4S)-1-ethyl-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is UFNFVAHQLXUGPD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N5O/c1-3-21-10-13(8-15(21)22)19-14-7-11(2)18-16(20-14)12-5-4-6-17-9-12/h4-7,9,13H,3,8,10H2,1-2H3,(H,18,19,20)/t13-/m0/s1.
What are the key properties of (4S)-1-ethyl-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]pyrrolidin-2-one?
(4S)-1-ethyl-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 297.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-ethyl-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 95138091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).