[4-[[3-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]oxan-4-yl]methanol

C21H26N4O2 — CID 144626299

IUPAC[4-[[3-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]oxan-4-yl]methanol
SMILESCc1ccc(-c2cnn3c(C)cc(NC4(CO)CCOCC4)nc23)cc1C
InChIInChI=1S/C21H26N4O2/c1-14-4-5-17(10-15(14)2)18-12-22-25-16(3)11-19(23-20(18)25)24-21(13-26)6-8-27-9-7-21/h4-5,10-12,26H,6-9,13H2,1-3H3,(H,23,24)
InChIKeyFLYOSVTVFXJQBR-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.27
Rot. Bonds4

About [4-[[3-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]oxan-4-yl]methanol

[4-[[3-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]oxan-4-yl]methanol (PubChem CID 144626299) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is [4-[[3-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[3-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]oxan-4-yl]methanol
PubChem CID144626299
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name[4-[[3-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]oxan-4-yl]methanol
SMILESCc1ccc(-c2cnn3c(C)cc(NC4(CO)CCOCC4)nc23)cc1C
InChIInChI=1S/C21H26N4O2/c1-14-4-5-17(10-15(14)2)18-12-22-25-16(3)11-19(23-20(18)25)24-21(13-26)6-8-27-9-7-21/h4-5,10-12,26H,6-9,13H2,1-3H3,(H,23,24)
InChIKeyFLYOSVTVFXJQBR-UHFFFAOYSA-N
XLogP3.27
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[[3-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]oxan-4-yl]methanol with MolForge

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Related Compounds

[4-[(2,6-dimethylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 114170393
[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106300524
N-cyclopropyl-4-[7-[[4-(hydroxymethyl)oxan-4-yl]methylamino]-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide
CID 137396495
[4-[(5-fluoro-2-pyridinyl)amino]oxan-4-yl]methanol
CID 106299751
[4-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]oxan-4-yl]methanol
CID 106301218
3-(3,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-5-phenoxypyrazolo[1,5-a]pyrimidin-7-amine
CID 144626308
[4-[(6-amino-2-propylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106301136
3-(3,4-dimethylphenyl)-5-N-methyl-7-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 137396375
[4-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]oxan-4-yl]methanol
CID 106301181
[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]oxan-4-yl]methanol
CID 106300070
3-(3,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126475082
[4-[(5-amino-2-pyridinyl)amino]oxan-4-yl]methanol
CID 106296826

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]oxan-4-yl]methanol?
The IUPAC name of [4-[[3-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]oxan-4-yl]methanol (CID 144626299) is [4-[[3-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[3-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]oxan-4-yl]methanol?
The canonical SMILES for [4-[[3-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]oxan-4-yl]methanol is Cc1ccc(-c2cnn3c(C)cc(NC4(CO)CCOCC4)nc23)cc1C.
What is the InChIKey of [4-[[3-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]oxan-4-yl]methanol?
The InChIKey is FLYOSVTVFXJQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14-4-5-17(10-15(14)2)18-12-22-25-16(3)11-19(23-20(18)25)24-21(13-26)6-8-27-9-7-21/h4-5,10-12,26H,6-9,13H2,1-3H3,(H,23,24).
What are the key properties of [4-[[3-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]oxan-4-yl]methanol?
[4-[[3-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]oxan-4-yl]methanol has a molecular weight of 366.47 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]oxan-4-yl]methanol is sourced from PubChem (CID 144626299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).