(4S)-1-(2-methoxyethyl)-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-2-one

C16H25N3O2 — CID 124758391

IUPAC(4S)-1-(2-methoxyethyl)-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-2-one
SMILESCOCCN1C[C@@H](Cc2cc(C)nc(C(C)C)n2)CC1=O
InChIInChI=1S/C16H25N3O2/c1-11(2)16-17-12(3)7-14(18-16)8-13-9-15(20)19(10-13)5-6-21-4/h7,11,13H,5-6,8-10H2,1-4H3/t13-/m0/s1
InChIKeyYLHLBUNMYVJFDX-ZDUSSCGKSA-N
MW291.40 g/mol
LogP1.95
Rot. Bonds6

About (4S)-1-(2-methoxyethyl)-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-2-one

(4S)-1-(2-methoxyethyl)-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-2-one (PubChem CID 124758391) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is (4S)-1-(2-methoxyethyl)-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(2-methoxyethyl)-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-2-one
PubChem CID124758391
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name(4S)-1-(2-methoxyethyl)-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-2-one
SMILESCOCCN1C[C@@H](Cc2cc(C)nc(C(C)C)n2)CC1=O
InChIInChI=1S/C16H25N3O2/c1-11(2)16-17-12(3)7-14(18-16)8-13-9-15(20)19(10-13)5-6-21-4/h7,11,13H,5-6,8-10H2,1-4H3/t13-/m0/s1
InChIKeyYLHLBUNMYVJFDX-ZDUSSCGKSA-N
XLogP1.95
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-(2-methoxyethyl)-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-(2-methoxyethyl)-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-2-one (CID 124758391) is (4S)-1-(2-methoxyethyl)-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(2-methoxyethyl)-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(2-methoxyethyl)-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-2-one is COCCN1C[C@@H](Cc2cc(C)nc(C(C)C)n2)CC1=O.
What is the InChIKey of (4S)-1-(2-methoxyethyl)-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-2-one?
The InChIKey is YLHLBUNMYVJFDX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)16-17-12(3)7-14(18-16)8-13-9-15(20)19(10-13)5-6-21-4/h7,11,13H,5-6,8-10H2,1-4H3/t13-/m0/s1.
What are the key properties of (4S)-1-(2-methoxyethyl)-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-2-one?
(4S)-1-(2-methoxyethyl)-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-2-one has a molecular weight of 291.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(2-methoxyethyl)-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 124758391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).