3-methoxy-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one

C13H19N3O2 — CID 110250159

IUPAC3-methoxy-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCCC1c1nccc(C)n1
InChIInChI=1S/C13H19N3O2/c1-10-5-7-14-13(15-10)11-4-3-8-16(11)12(17)6-9-18-2/h5,7,11H,3-4,6,8-9H2,1-2H3
InChIKeyBMFCYSPJUVPNEZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.49
Rot. Bonds4

About 3-methoxy-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one

3-methoxy-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 110250159) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-methoxy-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID110250159
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-methoxy-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCCC1c1nccc(C)n1
InChIInChI=1S/C13H19N3O2/c1-10-5-7-14-13(15-10)11-4-3-8-16(11)12(17)6-9-18-2/h5,7,11H,3-4,6,8-9H2,1-2H3
InChIKeyBMFCYSPJUVPNEZ-UHFFFAOYSA-N
XLogP1.49
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one (CID 110250159) is 3-methoxy-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one is COCCC(=O)N1CCCC1c1nccc(C)n1.
What is the InChIKey of 3-methoxy-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is BMFCYSPJUVPNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-5-7-14-13(15-10)11-4-3-8-16(11)12(17)6-9-18-2/h5,7,11H,3-4,6,8-9H2,1-2H3.
What are the key properties of 3-methoxy-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one?
3-methoxy-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 249.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110250159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).