[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone

C15H24N4O — CID 119541937

IUPAC[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone
SMILESCNCC1CCN(C(=O)c2cnc(C)nc2C(C)C)C1
InChIInChI=1S/C15H24N4O/c1-10(2)14-13(8-17-11(3)18-14)15(20)19-6-5-12(9-19)7-16-4/h8,10,12,16H,5-7,9H2,1-4H3
InChIKeyIJYNXEVSSFBESG-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.59
Rot. Bonds4

About [3-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone

[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone (PubChem CID 119541937) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [3-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone
PubChem CID119541937
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone
SMILESCNCC1CCN(C(=O)c2cnc(C)nc2C(C)C)C1
InChIInChI=1S/C15H24N4O/c1-10(2)14-13(8-17-11(3)18-14)15(20)19-6-5-12(9-19)7-16-4/h8,10,12,16H,5-7,9H2,1-4H3
InChIKeyIJYNXEVSSFBESG-UHFFFAOYSA-N
XLogP1.59
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-(methylaminomethyl)piperidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 125134277
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119539527
[3-(methylaminomethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 63264092
[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541142
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 81478651
(2,4-dimethylphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119540525
(2,7-dimethylquinolin-3-yl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124613099
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612764
[3-(methylaminomethyl)pyrrolidin-1-yl]-[4-(3-methylbutoxy)phenyl]methanone
CID 119540673
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612763
(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540009
(2,5-dibromothiophen-3-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113265618

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone?
The IUPAC name of [3-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone (CID 119541937) is [3-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [3-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [3-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone is CNCC1CCN(C(=O)c2cnc(C)nc2C(C)C)C1.
What is the InChIKey of [3-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone?
The InChIKey is IJYNXEVSSFBESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-10(2)14-13(8-17-11(3)18-14)15(20)19-6-5-12(9-19)7-16-4/h8,10,12,16H,5-7,9H2,1-4H3.
What are the key properties of [3-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone?
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 119541937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).