[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone

C15H16N4O2 — CID 155959216

IUPAC[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CC(c3ccnc(N)n3)C2)c1O
InChIInChI=1S/C15H16N4O2/c1-9-3-2-4-11(13(9)20)14(21)19-7-10(8-19)12-5-6-17-15(16)18-12/h2-6,10,20H,7-8H2,1H3,(H2,16,17,18)
InChIKeyCKPQDQBGSKNFSB-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.31
Rot. Bonds2

About [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone

[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone (PubChem CID 155959216) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
PubChem CID155959216
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CC(c3ccnc(N)n3)C2)c1O
InChIInChI=1S/C15H16N4O2/c1-9-3-2-4-11(13(9)20)14(21)19-7-10(8-19)12-5-6-17-15(16)18-12/h2-6,10,20H,7-8H2,1H3,(H2,16,17,18)
InChIKeyCKPQDQBGSKNFSB-UHFFFAOYSA-N
XLogP1.31
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[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]-(1-ethylindol-3-yl)methanone
CID 138009191
1-[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-2-phenylethanone
CID 95844946
[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(5-tert-butyl-1,3-oxazol-2-yl)methanone
CID 146104114
1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone
CID 95841354
[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(3-pyrazin-2-yloxyphenyl)methanone
CID 166340156
(2-hydroxy-3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 43824625
(2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390697
[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 86284534
1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110269883
(2-hydroxy-3-methylphenyl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97272457
[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 110269324

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone?
The IUPAC name of [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone (CID 155959216) is [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone.
What is the SMILES notation for [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone?
The canonical SMILES for [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone is Cc1cccc(C(=O)N2CC(c3ccnc(N)n3)C2)c1O.
What is the InChIKey of [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone?
The InChIKey is CKPQDQBGSKNFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9-3-2-4-11(13(9)20)14(21)19-7-10(8-19)12-5-6-17-15(16)18-12/h2-6,10,20H,7-8H2,1H3,(H2,16,17,18).
What are the key properties of [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone?
[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone has a molecular weight of 284.32 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone is sourced from PubChem (CID 155959216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).