azetidin-1-yl-(5-propan-2-ylpyrimidin-2-yl)methanone

C11H15N3O — CID 176799129

IUPACazetidin-1-yl-(5-propan-2-ylpyrimidin-2-yl)methanone
SMILESCC(C)c1cnc(C(=O)N2CCC2)nc1
InChIInChI=1S/C11H15N3O/c1-8(2)9-6-12-10(13-7-9)11(15)14-4-3-5-14/h6-8H,3-5H2,1-2H3
InChIKeyWSJZCDSPSQIULQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.45
Rot. Bonds2

About azetidin-1-yl-(5-propan-2-ylpyrimidin-2-yl)methanone

azetidin-1-yl-(5-propan-2-ylpyrimidin-2-yl)methanone (PubChem CID 176799129) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is azetidin-1-yl-(5-propan-2-ylpyrimidin-2-yl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(5-propan-2-ylpyrimidin-2-yl)methanone
PubChem CID176799129
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Nameazetidin-1-yl-(5-propan-2-ylpyrimidin-2-yl)methanone
SMILESCC(C)c1cnc(C(=O)N2CCC2)nc1
InChIInChI=1S/C11H15N3O/c1-8(2)9-6-12-10(13-7-9)11(15)14-4-3-5-14/h6-8H,3-5H2,1-2H3
InChIKeyWSJZCDSPSQIULQ-UHFFFAOYSA-N
XLogP1.45
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-1-yl-(5-methylpyrimidin-2-yl)methanone
CID 153064839
CID 163402880
CID 163402880
1-(5-propan-2-ylpyrimidin-2-yl)ethanone
CID 83914336
(4-propan-2-ylpiperidin-1-yl)-pyrimidin-2-ylmethanone
CID 118902078
3-[2-(azetidine-1-carbonyl)pyrimidin-5-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoic acid
CID 58180402
3,3-dimethyl-1-[4-(4-propan-2-ylbenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 110798419
ethane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine
CID 170578345
azepan-1-yl-[5-(4-propan-2-ylanilino)pyrazin-2-yl]methanone
CID 109289223
[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 39991441
azetidin-1-yl-(6-tert-butyl-3-pyridinyl)methanone
CID 59743869
azetidin-1-yl-(2-chloropyrimidin-5-yl)methanone
CID 130550489
(2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone
CID 89084134

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(5-propan-2-ylpyrimidin-2-yl)methanone?
The IUPAC name of azetidin-1-yl-(5-propan-2-ylpyrimidin-2-yl)methanone (CID 176799129) is azetidin-1-yl-(5-propan-2-ylpyrimidin-2-yl)methanone.
What is the SMILES notation for azetidin-1-yl-(5-propan-2-ylpyrimidin-2-yl)methanone?
The canonical SMILES for azetidin-1-yl-(5-propan-2-ylpyrimidin-2-yl)methanone is CC(C)c1cnc(C(=O)N2CCC2)nc1.
What is the InChIKey of azetidin-1-yl-(5-propan-2-ylpyrimidin-2-yl)methanone?
The InChIKey is WSJZCDSPSQIULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8(2)9-6-12-10(13-7-9)11(15)14-4-3-5-14/h6-8H,3-5H2,1-2H3.
What are the key properties of azetidin-1-yl-(5-propan-2-ylpyrimidin-2-yl)methanone?
azetidin-1-yl-(5-propan-2-ylpyrimidin-2-yl)methanone has a molecular weight of 205.26 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(5-propan-2-ylpyrimidin-2-yl)methanone is sourced from PubChem (CID 176799129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).