1-(4-tert-butylphenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol

C18H23N5O — CID 111421559

IUPAC1-(4-tert-butylphenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
SMILESCn1ncc2c(NCC(O)c3ccc(C(C)(C)C)cc3)ncnc21
InChIInChI=1S/C18H23N5O/c1-18(2,3)13-7-5-12(6-8-13)15(24)10-19-16-14-9-22-23(4)17(14)21-11-20-16/h5-9,11,15,24H,10H2,1-4H3,(H,19,20,21)
InChIKeyXGFHMNABSXYQKQ-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.81
Rot. Bonds4

About 1-(4-tert-butylphenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol

1-(4-tert-butylphenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 111421559) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
PubChem CID111421559
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-(4-tert-butylphenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
SMILESCn1ncc2c(NCC(O)c3ccc(C(C)(C)C)cc3)ncnc21
InChIInChI=1S/C18H23N5O/c1-18(2,3)13-7-5-12(6-8-13)15(24)10-19-16-14-9-22-23(4)17(14)21-11-20-16/h5-9,11,15,24H,10H2,1-4H3,(H,19,20,21)
InChIKeyXGFHMNABSXYQKQ-UHFFFAOYSA-N
XLogP2.81
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-tert-butylphenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol with MolForge

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Related Compounds

(1R)-1-(4-chlorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 38006236
(1S)-1-(4-chlorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 38006229
N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 79099379
1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 111118297
N-(2-chloro-2-phenylethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 65027355
3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]pentanoic acid
CID 81065375
(1R)-N,N-dimethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1-thiophen-3-ylethane-1,2-diamine
CID 34004018
1-methyl-N-(2-methyl-2-methylsulfanylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 115663474
2,2-dimethyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanoic acid
CID 114285536
1-methoxy-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-2-ol
CID 103875645
1-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 22590091
6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 103917942

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of 1-(4-tert-butylphenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol (CID 111421559) is 1-(4-tert-butylphenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol is Cn1ncc2c(NCC(O)c3ccc(C(C)(C)C)cc3)ncnc21.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is XGFHMNABSXYQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-18(2,3)13-7-5-12(6-8-13)15(24)10-19-16-14-9-22-23(4)17(14)21-11-20-16/h5-9,11,15,24H,10H2,1-4H3,(H,19,20,21).
What are the key properties of 1-(4-tert-butylphenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol?
1-(4-tert-butylphenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 325.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 111421559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).