(4R)-4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

C15H23N3O2 — CID 124757873

IUPAC(4R)-4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCCc1cnc(C)nc1C[C@@H]1CC(=O)N(CCOC)C1
InChIInChI=1S/C15H23N3O2/c1-4-13-9-16-11(2)17-14(13)7-12-8-15(19)18(10-12)5-6-20-3/h9,12H,4-8,10H2,1-3H3/t12-/m1/s1
InChIKeyXEFHASAWMFGTMM-GFCCVEGCSA-N
MW277.37 g/mol
LogP1.38
Rot. Bonds6

About (4R)-4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

(4R)-4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 124757873) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (4R)-4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID124757873
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(4R)-4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCCc1cnc(C)nc1C[C@@H]1CC(=O)N(CCOC)C1
InChIInChI=1S/C15H23N3O2/c1-4-13-9-16-11(2)17-14(13)7-12-8-15(19)18(10-12)5-6-20-3/h9,12H,4-8,10H2,1-3H3/t12-/m1/s1
InChIKeyXEFHASAWMFGTMM-GFCCVEGCSA-N
XLogP1.38
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 124757873) is (4R)-4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is CCc1cnc(C)nc1C[C@@H]1CC(=O)N(CCOC)C1.
What is the InChIKey of (4R)-4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is XEFHASAWMFGTMM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-13-9-16-11(2)17-14(13)7-12-8-15(19)18(10-12)5-6-20-3/h9,12H,4-8,10H2,1-3H3/t12-/m1/s1.
What are the key properties of (4R)-4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
(4R)-4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 277.37 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 124757873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).