[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone

C18H16N6O2 — CID 166340156

IUPAC[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone
SMILESNc1nccc(C2CN(C(=O)c3cccc(Oc4cnccn4)c3)C2)n1
InChIInChI=1S/C18H16N6O2/c19-18-22-5-4-15(23-18)13-10-24(11-13)17(25)12-2-1-3-14(8-12)26-16-9-20-6-7-21-16/h1-9,13H,10-11H2,(H2,19,22,23)
InChIKeyLCNGNWUNRDNENU-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.88
Rot. Bonds4

About [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone

[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone (PubChem CID 166340156) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone
PubChem CID166340156
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone
SMILESNc1nccc(C2CN(C(=O)c3cccc(Oc4cnccn4)c3)C2)n1
InChIInChI=1S/C18H16N6O2/c19-18-22-5-4-15(23-18)13-10-24(11-13)17(25)12-2-1-3-14(8-12)26-16-9-20-6-7-21-16/h1-9,13H,10-11H2,(H2,19,22,23)
InChIKeyLCNGNWUNRDNENU-UHFFFAOYSA-N
XLogP1.88
TPSA107.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3-aminopyrrolidin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone;dihydrochloride
CID 119482802
[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95824096
N-(2-aminoethyl)-1-(3-pyrazin-2-yloxybenzoyl)piperidine-3-carboxamide
CID 119480783
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone
CID 126783382
(2S)-1-(3-pyrazin-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid
CID 119366265
[(3S)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-pyrimidin-5-yl-4-pyridinyl)methanone
CID 124982819
[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 155959216
(2-methylpiperazin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone
CID 119471763
(2,6-dimethylmorpholin-4-yl)-(3-pyridin-2-yloxyphenyl)methanone
CID 90596689
1-[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-2-phenylethanone
CID 95844946
[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone
CID 167823649
[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(5-tert-butyl-1,3-oxazol-2-yl)methanone
CID 146104114

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone?
The IUPAC name of [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone (CID 166340156) is [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone.
What is the SMILES notation for [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone?
The canonical SMILES for [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone is Nc1nccc(C2CN(C(=O)c3cccc(Oc4cnccn4)c3)C2)n1.
What is the InChIKey of [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone?
The InChIKey is LCNGNWUNRDNENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c19-18-22-5-4-15(23-18)13-10-24(11-13)17(25)12-2-1-3-14(8-12)26-16-9-20-6-7-21-16/h1-9,13H,10-11H2,(H2,19,22,23).
What are the key properties of [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone?
[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone has a molecular weight of 348.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone is sourced from PubChem (CID 166340156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).