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

C16H25N3O2 — CID 124757223

IUPAC(4S)-1-(2-methoxyethyl)-4-[(6-methyl-2-propylpyrimidin-4-yl)methyl]pyrrolidin-2-one
SMILESCCCc1nc(C)cc(C[C@H]2CC(=O)N(CCOC)C2)n1
InChIInChI=1S/C16H25N3O2/c1-4-5-15-17-12(2)8-14(18-15)9-13-10-16(20)19(11-13)6-7-21-3/h8,13H,4-7,9-11H2,1-3H3/t13-/m0/s1
InChIKeyVYERSENHTDKXCQ-ZDUSSCGKSA-N
MW291.39 g/mol
LogP1.77
Rot. Bonds7

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

(4S)-1-(2-methoxyethyl)-4-[(6-methyl-2-propylpyrimidin-4-yl)methyl]pyrrolidin-2-one (PubChem CID 124757223) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (4S)-1-(2-methoxyethyl)-4-[(6-methyl-2-propylpyrimidin-4-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(2-methoxyethyl)-4-[(6-methyl-2-propylpyrimidin-4-yl)methyl]pyrrolidin-2-one
PubChem CID124757223
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(4S)-1-(2-methoxyethyl)-4-[(6-methyl-2-propylpyrimidin-4-yl)methyl]pyrrolidin-2-one
SMILESCCCc1nc(C)cc(C[C@H]2CC(=O)N(CCOC)C2)n1
InChIInChI=1S/C16H25N3O2/c1-4-5-15-17-12(2)8-14(18-15)9-13-10-16(20)19(11-13)6-7-21-3/h8,13H,4-7,9-11H2,1-3H3/t13-/m0/s1
InChIKeyVYERSENHTDKXCQ-ZDUSSCGKSA-N
XLogP1.77
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.77
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-propylpyrimidin-4-yl)methyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-(2-methoxyethyl)-4-[(6-methyl-2-propylpyrimidin-4-yl)methyl]pyrrolidin-2-one (CID 124757223) is (4S)-1-(2-methoxyethyl)-4-[(6-methyl-2-propylpyrimidin-4-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(2-methoxyethyl)-4-[(6-methyl-2-propylpyrimidin-4-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(2-methoxyethyl)-4-[(6-methyl-2-propylpyrimidin-4-yl)methyl]pyrrolidin-2-one is CCCc1nc(C)cc(C[C@H]2CC(=O)N(CCOC)C2)n1.
What is the InChIKey of (4S)-1-(2-methoxyethyl)-4-[(6-methyl-2-propylpyrimidin-4-yl)methyl]pyrrolidin-2-one?
The InChIKey is VYERSENHTDKXCQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-5-15-17-12(2)8-14(18-15)9-13-10-16(20)19(11-13)6-7-21-3/h8,13H,4-7,9-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (4S)-1-(2-methoxyethyl)-4-[(6-methyl-2-propylpyrimidin-4-yl)methyl]pyrrolidin-2-one?
(4S)-1-(2-methoxyethyl)-4-[(6-methyl-2-propylpyrimidin-4-yl)methyl]pyrrolidin-2-one has a molecular weight of 291.39 g/mol, XLogP of 1.77, 7 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-propylpyrimidin-4-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 124757223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).