(2-ethyl-4,6-dimethylpyrimidin-5-yl)-(3-methylazetidin-1-yl)methanone

C13H19N3O — CID 166268566

IUPAC(2-ethyl-4,6-dimethylpyrimidin-5-yl)-(3-methylazetidin-1-yl)methanone
SMILESCCc1nc(C)c(C(=O)N2CC(C)C2)c(C)n1
InChIInChI=1S/C13H19N3O/c1-5-11-14-9(3)12(10(4)15-11)13(17)16-6-8(2)7-16/h8H,5-7H2,1-4H3
InChIKeyDODLAIYTQNGOQW-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.75
Rot. Bonds2

About (2-ethyl-4,6-dimethylpyrimidin-5-yl)-(3-methylazetidin-1-yl)methanone

(2-ethyl-4,6-dimethylpyrimidin-5-yl)-(3-methylazetidin-1-yl)methanone (PubChem CID 166268566) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (2-ethyl-4,6-dimethylpyrimidin-5-yl)-(3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2-ethyl-4,6-dimethylpyrimidin-5-yl)-(3-methylazetidin-1-yl)methanone
PubChem CID166268566
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(2-ethyl-4,6-dimethylpyrimidin-5-yl)-(3-methylazetidin-1-yl)methanone
SMILESCCc1nc(C)c(C(=O)N2CC(C)C2)c(C)n1
InChIInChI=1S/C13H19N3O/c1-5-11-14-9(3)12(10(4)15-11)13(17)16-6-8(2)7-16/h8H,5-7H2,1-4H3
InChIKeyDODLAIYTQNGOQW-UHFFFAOYSA-N
XLogP1.75
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(4-methylpiperidin-1-yl)methanone
CID 18156519
(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-thiomorpholin-4-ylmethanone
CID 56815920
(3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126992843
(5-chloro-1-ethyl-3-methylpyrazol-4-yl)-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone
CID 124590611
1-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 94075608
(1-ethyl-5-methylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 42656730
2-ethyl-4-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfanyl-6-methylpyrimidine-5-carboxylic acid
CID 60883818
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63105123
2-ethyl-4-methyl-6-octylsulfanylpyrimidine-5-carboxylic acid
CID 43514325
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)methanone
CID 79411017
2-ethyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid
CID 43514386
4-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-2-ethyl-6-methylpyrimidine-5-carboxylic acid
CID 43514403

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4,6-dimethylpyrimidin-5-yl)-(3-methylazetidin-1-yl)methanone?
The IUPAC name of (2-ethyl-4,6-dimethylpyrimidin-5-yl)-(3-methylazetidin-1-yl)methanone (CID 166268566) is (2-ethyl-4,6-dimethylpyrimidin-5-yl)-(3-methylazetidin-1-yl)methanone.
What is the SMILES notation for (2-ethyl-4,6-dimethylpyrimidin-5-yl)-(3-methylazetidin-1-yl)methanone?
The canonical SMILES for (2-ethyl-4,6-dimethylpyrimidin-5-yl)-(3-methylazetidin-1-yl)methanone is CCc1nc(C)c(C(=O)N2CC(C)C2)c(C)n1.
What is the InChIKey of (2-ethyl-4,6-dimethylpyrimidin-5-yl)-(3-methylazetidin-1-yl)methanone?
The InChIKey is DODLAIYTQNGOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-5-11-14-9(3)12(10(4)15-11)13(17)16-6-8(2)7-16/h8H,5-7H2,1-4H3.
What are the key properties of (2-ethyl-4,6-dimethylpyrimidin-5-yl)-(3-methylazetidin-1-yl)methanone?
(2-ethyl-4,6-dimethylpyrimidin-5-yl)-(3-methylazetidin-1-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4,6-dimethylpyrimidin-5-yl)-(3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 166268566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).