2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-N-methylacetamide

C15H25N5O — CID 110116753

IUPAC2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCCC1c1nc(C)ncc1CN(C)C
InChIInChI=1S/C15H25N5O/c1-11-17-8-12(9-19(3)4)15(18-11)13-6-5-7-20(13)10-14(21)16-2/h8,13H,5-7,9-10H2,1-4H3,(H,16,21)
InChIKeyWVHMMJZHOUKNSY-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.73
Rot. Bonds5

About 2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-N-methylacetamide

2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-N-methylacetamide (PubChem CID 110116753) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-N-methylacetamide
PubChem CID110116753
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCCC1c1nc(C)ncc1CN(C)C
InChIInChI=1S/C15H25N5O/c1-11-17-8-12(9-19(3)4)15(18-11)13-6-5-7-20(13)10-14(21)16-2/h8,13H,5-7,9-10H2,1-4H3,(H,16,21)
InChIKeyWVHMMJZHOUKNSY-UHFFFAOYSA-N
XLogP0.73
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(2R)-1-cyclopentylsulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine
CID 124958910
N,N-dimethyl-1-[2-methyl-4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine
CID 124969108
N,N-dimethyl-1-[2-methyl-4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine
CID 110116763
N-[2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 110116801
1-[4-[1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine
CID 110116785
N,N-dimethyl-1-[2-methyl-4-[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine
CID 110116781
N-[[2-methyl-4-[(2R)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124997828
[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 110116761
1-[(2S)-2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 125014018
[(2S)-2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 124957607
1-[4-[1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine
CID 110116819
1-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
CID 110116795

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-N-methylacetamide (CID 110116753) is 2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCCC1c1nc(C)ncc1CN(C)C.
What is the InChIKey of 2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-N-methylacetamide?
The InChIKey is WVHMMJZHOUKNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-11-17-8-12(9-19(3)4)15(18-11)13-6-5-7-20(13)10-14(21)16-2/h8,13H,5-7,9-10H2,1-4H3,(H,16,21).
What are the key properties of 2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-N-methylacetamide?
2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-N-methylacetamide has a molecular weight of 291.40 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 110116753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).