1-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one

C19H28N6O — CID 110119067

IUPAC1-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
SMILESCc1ncc(CN(C)C)c(C2CCCN2C(=O)CCCn2cccn2)n1
InChIInChI=1S/C19H28N6O/c1-15-20-13-16(14-23(2)3)19(22-15)17-7-4-12-25(17)18(26)8-5-10-24-11-6-9-21-24/h6,9,11,13,17H,4-5,7-8,10,12,14H2,1-3H3
InChIKeyMQMNREBLOWPICC-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.19
Rot. Bonds7

About 1-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one

1-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one (PubChem CID 110119067) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
PubChem CID110119067
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name1-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
SMILESCc1ncc(CN(C)C)c(C2CCCN2C(=O)CCCn2cccn2)n1
InChIInChI=1S/C19H28N6O/c1-15-20-13-16(14-23(2)3)19(22-15)17-7-4-12-25(17)18(26)8-5-10-24-11-6-9-21-24/h6,9,11,13,17H,4-5,7-8,10,12,14H2,1-3H3
InChIKeyMQMNREBLOWPICC-UHFFFAOYSA-N
XLogP2.19
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 124978443
1-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
CID 110116795
1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 110119264
1-[(2S)-2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 125014018
N-[2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 110116801
4-pyrazol-1-yl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one
CID 95978501
1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 129427741
[(2S)-2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 124957607
1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 110129510
[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 110116761
1-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 124961219
2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-N-methylacetamide
CID 110116753

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one?
The IUPAC name of 1-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one (CID 110119067) is 1-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one.
What is the SMILES notation for 1-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one?
The canonical SMILES for 1-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one is Cc1ncc(CN(C)C)c(C2CCCN2C(=O)CCCn2cccn2)n1.
What is the InChIKey of 1-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one?
The InChIKey is MQMNREBLOWPICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-15-20-13-16(14-23(2)3)19(22-15)17-7-4-12-25(17)18(26)8-5-10-24-11-6-9-21-24/h6,9,11,13,17H,4-5,7-8,10,12,14H2,1-3H3.
What are the key properties of 1-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one?
1-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one has a molecular weight of 356.47 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one is sourced from PubChem (CID 110119067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).