1-tert-butyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine

C10H15N5 — CID 59633844

IUPAC1-tert-butyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C(C)(C)C)c2ncnc(N)c12
InChIInChI=1S/C10H15N5/c1-6-7-8(11)12-5-13-9(7)15(14-6)10(2,3)4/h5H,1-4H3,(H2,11,12,13)
InChIKeyZHDZHTWFFPWUPB-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.47
Rot. Bonds

About 1-tert-butyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine

1-tert-butyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 59633844) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-tert-butyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID59633844
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name1-tert-butyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C(C)(C)C)c2ncnc(N)c12
InChIInChI=1S/C10H15N5/c1-6-7-8(11)12-5-13-9(7)15(14-6)10(2,3)4/h5H,1-4H3,(H2,11,12,13)
InChIKeyZHDZHTWFFPWUPB-UHFFFAOYSA-N
XLogP1.47
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219854
4-amino-1H-pyrazolo(3,4-d)pyrimidine-3-carbonitrile
CID 262440
5,7,8-Trimethyl-2-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 72704900
1,3-Dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219860
(5,6-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-prop-2-ynyl-amine
CID 653352
(NE)-N-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methylidene]hydroxylamine
CID 137148836
6-chloro-3-methyl-1H-pyrazolo(3,4-d)pyrimidine
CID 17569283
4-chloro-3-methyl-1H-pyrazolo(3,4-d)pyrimidine
CID 58931410
3-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 89154211
N-[(1-isobutyl-3-pyrrolidinyl)methyl]-N,1,3-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56906371
3-(3-Methylbut-3-en-1-ynyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 57523452
3-(3,3-Dimethylbut-1-ynyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 57523453

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-tert-butyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 59633844) is 1-tert-butyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-tert-butyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-tert-butyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1nn(C(C)(C)C)c2ncnc(N)c12.
What is the InChIKey of 1-tert-butyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ZHDZHTWFFPWUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-6-7-8(11)12-5-13-9(7)15(14-6)10(2,3)4/h5H,1-4H3,(H2,11,12,13).
What are the key properties of 1-tert-butyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
1-tert-butyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 205.26 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 59633844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).