1-[3-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)azetidin-1-yl]ethanone

C13H15N5O — CID 95842735

IUPAC1-[3-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(c2nc(C)cc(-n3ccnc3)n2)C1
InChIInChI=1S/C13H15N5O/c1-9-5-12(17-4-3-14-8-17)16-13(15-9)11-6-18(7-11)10(2)19/h3-5,8,11H,6-7H2,1-2H3
InChIKeyADDSCTJISYHLIN-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.92
Rot. Bonds2

About 1-[3-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)azetidin-1-yl]ethanone

1-[3-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)azetidin-1-yl]ethanone (PubChem CID 95842735) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-[3-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)azetidin-1-yl]ethanone
PubChem CID95842735
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name1-[3-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(c2nc(C)cc(-n3ccnc3)n2)C1
InChIInChI=1S/C13H15N5O/c1-9-5-12(17-4-3-14-8-17)16-13(15-9)11-6-18(7-11)10(2)19/h3-5,8,11H,6-7H2,1-2H3
InChIKeyADDSCTJISYHLIN-UHFFFAOYSA-N
XLogP0.92
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide
CID 46981387
4-(2-methylimidazol-1-yl)-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)butanamide
CID 72001947
1-[2-(4-Methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 73439401
2-(Dimethylamino)-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 73440182
1-{2-[2-(2-isopropylpyrimidin-4-yl)-1H-imidazol-1-yl]ethyl}imidazolidin-2-one
CID 56866012
1-{2-[2-(2-isopropylpyrimidin-4-yl)-1H-imidazol-1-yl]ethyl}pyrrolidin-2-one
CID 56870160
1-(1-ethyl-1H-imidazol-2-yl)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methylmethanamine
CID 77083052
N-[2-(1H-imidazol-1-yl)ethyl]-N,6-dimethyl-2-propylpyrimidin-4-amine
CID 129625018
2-(Ethoxymethyl)-4-imidazol-1-yl-6-methylpyrimidine
CID 138022435
(3S)-1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-(2-methylimidazol-1-yl)butan-1-one
CID 164638385
4-(Difluoromethyl)-6-imidazol-1-yl-2-methylpyrimidine
CID 166480985
3-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 174355883

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)azetidin-1-yl]ethanone (CID 95842735) is 1-[3-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)azetidin-1-yl]ethanone is CC(=O)N1CC(c2nc(C)cc(-n3ccnc3)n2)C1.
What is the InChIKey of 1-[3-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)azetidin-1-yl]ethanone?
The InChIKey is ADDSCTJISYHLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-9-5-12(17-4-3-14-8-17)16-13(15-9)11-6-18(7-11)10(2)19/h3-5,8,11H,6-7H2,1-2H3.
What are the key properties of 1-[3-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)azetidin-1-yl]ethanone?
1-[3-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)azetidin-1-yl]ethanone has a molecular weight of 257.30 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)azetidin-1-yl]ethanone is sourced from PubChem (CID 95842735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).