1,4-dimethylpyrazolo[3,4-d]pyrimidin-6-amine

C7H9N5 — CID 82415128

IUPAC1,4-dimethylpyrazolo[3,4-d]pyrimidin-6-amine
SMILESCc1nc(N)nc2c1cnn2C
InChIInChI=1S/C7H9N5/c1-4-5-3-9-12(2)6(5)11-7(8)10-4/h3H,1-2H3,(H2,8,10,11)
InChIKeyRNYGZBGVNSASSB-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.25
Rot. Bonds

About 1,4-dimethylpyrazolo[3,4-d]pyrimidin-6-amine

1,4-dimethylpyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 82415128) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 1,4-dimethylpyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1,4-dimethylpyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID82415128
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name1,4-dimethylpyrazolo[3,4-d]pyrimidin-6-amine
SMILESCc1nc(N)nc2c1cnn2C
InChIInChI=1S/C7H9N5/c1-4-5-3-9-12(2)6(5)11-7(8)10-4/h3H,1-2H3,(H2,8,10,11)
InChIKeyRNYGZBGVNSASSB-UHFFFAOYSA-N
XLogP0.25
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl) carbamate
CID 143605674
1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine
CID 71004312
methyl 4-amino-1,6-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 127243781
1,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
CID 44822581
6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-amine
CID 84661533
1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 19616512
4-N,1-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 166260497
1,6-dimethylpyrazolo[5,4-d][1,3]oxazin-4-one
CID 641947
4-(hydroxymethyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 166796739
1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 164800826
4-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine
CID 121452519
ethane;1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 143264470

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 1,4-dimethylpyrazolo[3,4-d]pyrimidin-6-amine (CID 82415128) is 1,4-dimethylpyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1,4-dimethylpyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 1,4-dimethylpyrazolo[3,4-d]pyrimidin-6-amine is Cc1nc(N)nc2c1cnn2C.
What is the InChIKey of 1,4-dimethylpyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is RNYGZBGVNSASSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-4-5-3-9-12(2)6(5)11-7(8)10-4/h3H,1-2H3,(H2,8,10,11).
What are the key properties of 1,4-dimethylpyrazolo[3,4-d]pyrimidin-6-amine?
1,4-dimethylpyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 163.18 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 82415128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).