(3-aminoazetidin-1-yl)-(2-methylpyrimidin-4-yl)methanone

C9H12N4O — CID 130925967

IUPAC(3-aminoazetidin-1-yl)-(2-methylpyrimidin-4-yl)methanone
SMILESCc1nccc(C(=O)N2CC(N)C2)n1
InChIInChI=1S/C9H12N4O/c1-6-11-3-2-8(12-6)9(14)13-4-7(10)5-13/h2-3,7H,4-5,10H2,1H3
InChIKeyDUOWNOXNDIURNR-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.43
Rot. Bonds1

About (3-aminoazetidin-1-yl)-(2-methylpyrimidin-4-yl)methanone

(3-aminoazetidin-1-yl)-(2-methylpyrimidin-4-yl)methanone (PubChem CID 130925967) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is (3-aminoazetidin-1-yl)-(2-methylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name(3-aminoazetidin-1-yl)-(2-methylpyrimidin-4-yl)methanone
PubChem CID130925967
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name(3-aminoazetidin-1-yl)-(2-methylpyrimidin-4-yl)methanone
SMILESCc1nccc(C(=O)N2CC(N)C2)n1
InChIInChI=1S/C9H12N4O/c1-6-11-3-2-8(12-6)9(14)13-4-7(10)5-13/h2-3,7H,4-5,10H2,1H3
InChIKeyDUOWNOXNDIURNR-UHFFFAOYSA-N
XLogP-0.43
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methylpyrimidine-4-carbonyl)piperazin-1-yl]ethanone
CID 47255982
N-[(3R,4R)-4-hydroxy-1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]acetamide
CID 110132910
(3-aminoazetidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 63754551
(4,4-dimethylpiperazin-4-ium-1-yl)-(2-methylpyrimidin-4-yl)methanone
CID 123694464
[(3S)-3-(dimethylamino)piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 95143975
(2-methylpyrimidin-4-yl)-[(3R)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 124961035
[(2R)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-(2-methylpyrimidin-4-yl)methanone
CID 125016179
(2-methylpyrimidin-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768636
[4-(2-hydroxypropyl)piperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 56802501
2-cyclohexyl-1-(2-methylpyrimidin-4-yl)ethanone
CID 115529765
(2-methylpyrimidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 110111683
[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 95613262

Frequently Asked Questions

What is the IUPAC name of (3-aminoazetidin-1-yl)-(2-methylpyrimidin-4-yl)methanone?
The IUPAC name of (3-aminoazetidin-1-yl)-(2-methylpyrimidin-4-yl)methanone (CID 130925967) is (3-aminoazetidin-1-yl)-(2-methylpyrimidin-4-yl)methanone.
What is the SMILES notation for (3-aminoazetidin-1-yl)-(2-methylpyrimidin-4-yl)methanone?
The canonical SMILES for (3-aminoazetidin-1-yl)-(2-methylpyrimidin-4-yl)methanone is Cc1nccc(C(=O)N2CC(N)C2)n1.
What is the InChIKey of (3-aminoazetidin-1-yl)-(2-methylpyrimidin-4-yl)methanone?
The InChIKey is DUOWNOXNDIURNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-6-11-3-2-8(12-6)9(14)13-4-7(10)5-13/h2-3,7H,4-5,10H2,1H3.
What are the key properties of (3-aminoazetidin-1-yl)-(2-methylpyrimidin-4-yl)methanone?
(3-aminoazetidin-1-yl)-(2-methylpyrimidin-4-yl)methanone has a molecular weight of 192.22 g/mol, XLogP of -0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoazetidin-1-yl)-(2-methylpyrimidin-4-yl)methanone is sourced from PubChem (CID 130925967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).