1-[[1-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl]azetidin-3-ol

C20H24N6O — CID 102515520

IUPAC1-[[1-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl]azetidin-3-ol
SMILESCc1cc(C)cc(Nc2nccc(-n3cc(CN4CC(O)C4)c(C)n3)n2)c1
InChIInChI=1S/C20H24N6O/c1-13-6-14(2)8-17(7-13)22-20-21-5-4-19(23-20)26-10-16(15(3)24-26)9-25-11-18(27)12-25/h4-8,10,18,27H,9,11-12H2,1-3H3,(H,21,22,23)
InChIKeyOQBGPKGYCQBCOV-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.51
Rot. Bonds5

About 1-[[1-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl]azetidin-3-ol

1-[[1-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl]azetidin-3-ol (PubChem CID 102515520) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[[1-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[[1-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl]azetidin-3-ol
PubChem CID102515520
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name1-[[1-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl]azetidin-3-ol
SMILESCc1cc(C)cc(Nc2nccc(-n3cc(CN4CC(O)C4)c(C)n3)n2)c1
InChIInChI=1S/C20H24N6O/c1-13-6-14(2)8-17(7-13)22-20-21-5-4-19(23-20)26-10-16(15(3)24-26)9-25-11-18(27)12-25/h4-8,10,18,27H,9,11-12H2,1-3H3,(H,21,22,23)
InChIKeyOQBGPKGYCQBCOV-UHFFFAOYSA-N
XLogP2.51
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[1-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl]azetidin-3-ol with MolForge

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Related Compounds

Biib-068
CID 118139356
compound 18e (PMID: 31670517)
CID 139600335
1-[(1-{2-[(3-Chloro-1,2-Dimethyl-1h-Indol-5-Yl)amino]pyrimidin-4-Yl}-3-Methyl-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol
CID 71698376
1-[(1-{2-[(3-Chloro-1-Methyl-1h-Indazol-5-Yl)amino]pyrimidin-4-Yl}-3-Methyl-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol
CID 71698643
1-[(3-Methyl-1-{2-[(1,2,3-Trimethyl-1h-Indol-5-Yl)amino]pyrimidin-4-Yl}-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol
CID 71698379
1-[(3-Methyl-1-{2-[(1-Methyl-1h-Indazol-5-Yl)amino]pyrimidin-4-Yl}-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol
CID 71698642
1-((1-(2-(3-chloro-1-methyl-1H-indol-5-ylamino)pyrimidin-4-yl)-3-methyl-1H-pyrazol-4-yl)methyl)azetidin-3-ol
CID 71698378
N-(4-(3-Methyl-1H-1,2,4-triazol-1-yl)phenyl)-4-(3-morpholinophenyl)pyrimidin-2-amine
CID 44627583
Cyclohexanol, 4-[[4-[5-(dimethylamino)-1-(phenylmethyl)-1H-pyrazol-4-yl]-2-pyrimidinyl]amino]-, trans-
CID 46884199
(3R)-1-[[1-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methylpyrrol-3-yl]methyl]pyrrolidin-3-ol
CID 53232414
1-[[4-Cyclopropyl-1-[2-(3,5-dimethylanilino)pyrimidin-4-yl]pyrrol-3-yl]methyl]azetidin-3-ol
CID 53232523
1-((3-methyl-1-(2-(1-methyl-1H-indol-5-ylamino)pyrimidin-4-yl)-1H-pyrazol-4-yl)methyl)azetidin-3-ol
CID 71698375

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl]azetidin-3-ol?
The IUPAC name of 1-[[1-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl]azetidin-3-ol (CID 102515520) is 1-[[1-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl]azetidin-3-ol.
What is the SMILES notation for 1-[[1-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl]azetidin-3-ol?
The canonical SMILES for 1-[[1-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl]azetidin-3-ol is Cc1cc(C)cc(Nc2nccc(-n3cc(CN4CC(O)C4)c(C)n3)n2)c1.
What is the InChIKey of 1-[[1-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl]azetidin-3-ol?
The InChIKey is OQBGPKGYCQBCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-13-6-14(2)8-17(7-13)22-20-21-5-4-19(23-20)26-10-16(15(3)24-26)9-25-11-18(27)12-25/h4-8,10,18,27H,9,11-12H2,1-3H3,(H,21,22,23).
What are the key properties of 1-[[1-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl]azetidin-3-ol?
1-[[1-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl]azetidin-3-ol has a molecular weight of 364.45 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl]azetidin-3-ol is sourced from PubChem (CID 102515520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).