(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanol

C17H21N5O — CID 59633720

IUPAC(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2nn(C(C)(C)C)c3ncnc(N)c23)c1
InChIInChI=1S/C17H21N5O/c1-10-6-5-7-11(8-10)14(23)13-12-15(18)19-9-20-16(12)22(21-13)17(2,3)4/h5-9,14,23H,1-4H3,(H2,18,19,20)
InChIKeyXOBLKHADRFDOST-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.55
Rot. Bonds2

About (4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanol

(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanol (PubChem CID 59633720) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanol.

Molecular Properties

Compound Name(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanol
PubChem CID59633720
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2nn(C(C)(C)C)c3ncnc(N)c23)c1
InChIInChI=1S/C17H21N5O/c1-10-6-5-7-11(8-10)14(23)13-12-15(18)19-9-20-16(12)22(21-13)17(2,3)4/h5-9,14,23H,1-4H3,(H2,18,19,20)
InChIKeyXOBLKHADRFDOST-UHFFFAOYSA-N
XLogP2.55
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-tert-butyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 24865390
(3-methylphenyl)-(2-methyl-4-pyridinyl)methanol
CID 106756084
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171249716
1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 70686735
(4-tert-butylphenyl)-(3-methylphenyl)methanol
CID 2757292
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine
CID 93312698
1-tert-butyl-3-(2,3-difluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine
CID 59633769
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251
[6-[hydroxy-(3-methylphenyl)methyl]-2-pyridinyl]-(3-methylphenyl)methanol
CID 175901613
1-tert-butyl-3-[[3-(dimethylamino)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 24864850
1-tert-butyl-3-(4-methylcyclohexa-2,4-dien-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 134164238
5,6-dimethyl-7-[2-(3-methylphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 62314662

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanol?
The IUPAC name of (4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanol (CID 59633720) is (4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanol.
What is the SMILES notation for (4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanol?
The canonical SMILES for (4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanol is Cc1cccc(C(O)c2nn(C(C)(C)C)c3ncnc(N)c23)c1.
What is the InChIKey of (4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanol?
The InChIKey is XOBLKHADRFDOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-10-6-5-7-11(8-10)14(23)13-12-15(18)19-9-20-16(12)22(21-13)17(2,3)4/h5-9,14,23H,1-4H3,(H2,18,19,20).
What are the key properties of (4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanol?
(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanol has a molecular weight of 311.39 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanol is sourced from PubChem (CID 59633720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).