3-methoxy-2-methyl-1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]propan-1-one

C15H24N4O2 — CID 128999786

IUPAC3-methoxy-2-methyl-1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]propan-1-one
SMILESCOCC(C)C(=O)N1CCC(N(C)Cc2ncccn2)C1
InChIInChI=1S/C15H24N4O2/c1-12(11-21-3)15(20)19-8-5-13(9-19)18(2)10-14-16-6-4-7-17-14/h4,6-7,12-13H,5,8-11H2,1-3H3
InChIKeyNGDXXEWYCNZONL-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.79
Rot. Bonds6

About 3-methoxy-2-methyl-1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]propan-1-one

3-methoxy-2-methyl-1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]propan-1-one (PubChem CID 128999786) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-methoxy-2-methyl-1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-2-methyl-1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]propan-1-one
PubChem CID128999786
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-methoxy-2-methyl-1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]propan-1-one
SMILESCOCC(C)C(=O)N1CCC(N(C)Cc2ncccn2)C1
InChIInChI=1S/C15H24N4O2/c1-12(11-21-3)15(20)19-8-5-13(9-19)18(2)10-14-16-6-4-7-17-14/h4,6-7,12-13H,5,8-11H2,1-3H3
InChIKeyNGDXXEWYCNZONL-UHFFFAOYSA-N
XLogP0.79
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-2-methyl-1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]propan-1-one (CID 128999786) is 3-methoxy-2-methyl-1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-2-methyl-1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-2-methyl-1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]propan-1-one is COCC(C)C(=O)N1CCC(N(C)Cc2ncccn2)C1.
What is the InChIKey of 3-methoxy-2-methyl-1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]propan-1-one?
The InChIKey is NGDXXEWYCNZONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12(11-21-3)15(20)19-8-5-13(9-19)18(2)10-14-16-6-4-7-17-14/h4,6-7,12-13H,5,8-11H2,1-3H3.
What are the key properties of 3-methoxy-2-methyl-1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]propan-1-one?
3-methoxy-2-methyl-1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]propan-1-one has a molecular weight of 292.38 g/mol, XLogP of 0.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 128999786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).