[1-(2-methoxyphenyl)cyclopropyl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone

C18H20N4O2 — CID 121187521

IUPAC[1-(2-methoxyphenyl)cyclopropyl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
SMILESCOc1ccccc1C1(C(=O)N2CC(Nc3ncccn3)C2)CC1
InChIInChI=1S/C18H20N4O2/c1-24-15-6-3-2-5-14(15)18(7-8-18)16(23)22-11-13(12-22)21-17-19-9-4-10-20-17/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,19,20,21)
InChIKeyUJIWJQXURDDNCA-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.84
Rot. Bonds5

About [1-(2-methoxyphenyl)cyclopropyl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone

[1-(2-methoxyphenyl)cyclopropyl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone (PubChem CID 121187521) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is [1-(2-methoxyphenyl)cyclopropyl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-methoxyphenyl)cyclopropyl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
PubChem CID121187521
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name[1-(2-methoxyphenyl)cyclopropyl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
SMILESCOc1ccccc1C1(C(=O)N2CC(Nc3ncccn3)C2)CC1
InChIInChI=1S/C18H20N4O2/c1-24-15-6-3-2-5-14(15)18(7-8-18)16(23)22-11-13(12-22)21-17-19-9-4-10-20-17/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,19,20,21)
InChIKeyUJIWJQXURDDNCA-UHFFFAOYSA-N
XLogP1.84
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(2-methoxyphenyl)cyclopropyl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone with MolForge

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Related Compounds

[3-[(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone
CID 167897093
[1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 30945052
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone
CID 122348099
[1-(2-methoxyphenyl)cyclopropyl]-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 139023150
[1-(2-methoxyphenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
CID 110436782
(3R)-1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 97064118
1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 71915693
[1-(2-methoxyphenyl)cyclopropyl]-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343425
[4-[(5-chloropyrimidin-2-yl)-methylamino]piperidin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone
CID 155981877
1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168175
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(2-methoxyphenyl)cyclopropyl]methanone;hydrochloride
CID 120816573
3-[[1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 119105365

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyphenyl)cyclopropyl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone?
The IUPAC name of [1-(2-methoxyphenyl)cyclopropyl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone (CID 121187521) is [1-(2-methoxyphenyl)cyclopropyl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone.
What is the SMILES notation for [1-(2-methoxyphenyl)cyclopropyl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone?
The canonical SMILES for [1-(2-methoxyphenyl)cyclopropyl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone is COc1ccccc1C1(C(=O)N2CC(Nc3ncccn3)C2)CC1.
What is the InChIKey of [1-(2-methoxyphenyl)cyclopropyl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone?
The InChIKey is UJIWJQXURDDNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-24-15-6-3-2-5-14(15)18(7-8-18)16(23)22-11-13(12-22)21-17-19-9-4-10-20-17/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,19,20,21).
What are the key properties of [1-(2-methoxyphenyl)cyclopropyl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone?
[1-(2-methoxyphenyl)cyclopropyl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone has a molecular weight of 324.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyphenyl)cyclopropyl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone is sourced from PubChem (CID 121187521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).