1-cyclopentyl-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine

C17H20N6 — CID 56944277

IUPAC1-cyclopentyl-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine
SMILESCc1cccc(Nc2nn(C3CCCC3)c3ncnc(N)c23)c1
InChIInChI=1S/C17H20N6/c1-11-5-4-6-12(9-11)21-16-14-15(18)19-10-20-17(14)23(22-16)13-7-2-3-8-13/h4-6,9-10,13H,2-3,7-8H2,1H3,(H,21,22)(H2,18,19,20)
InChIKeyFNUYRAOUGDQGNQ-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.58
Rot. Bonds3

About 1-cyclopentyl-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine

1-cyclopentyl-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine (PubChem CID 56944277) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine.

Molecular Properties

Compound Name1-cyclopentyl-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine
PubChem CID56944277
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name1-cyclopentyl-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine
SMILESCc1cccc(Nc2nn(C3CCCC3)c3ncnc(N)c23)c1
InChIInChI=1S/C17H20N6/c1-11-5-4-6-12(9-11)21-16-14-15(18)19-10-20-17(14)23(22-16)13-7-2-3-8-13/h4-6,9-10,13H,2-3,7-8H2,1H3,(H,21,22)(H2,18,19,20)
InChIKeyFNUYRAOUGDQGNQ-UHFFFAOYSA-N
XLogP3.58
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(3-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 118516884
1-cyclopropyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 166884920
N-(3-methylphenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 91756034
3-(4-aminophenyl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58506790
1-cyclopentyl-3-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 56944275
3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 144611389
1-cyclopropyl-N-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 121365312
ethane;3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 144611388
5-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80754890
1-methyl-3-N-phenylpyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 155613690
3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157493398
4-N-(3-methylphenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine
CID 19137318

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine?
The IUPAC name of 1-cyclopentyl-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine (CID 56944277) is 1-cyclopentyl-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine.
What is the SMILES notation for 1-cyclopentyl-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine?
The canonical SMILES for 1-cyclopentyl-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine is Cc1cccc(Nc2nn(C3CCCC3)c3ncnc(N)c23)c1.
What is the InChIKey of 1-cyclopentyl-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine?
The InChIKey is FNUYRAOUGDQGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-11-5-4-6-12(9-11)21-16-14-15(18)19-10-20-17(14)23(22-16)13-7-2-3-8-13/h4-6,9-10,13H,2-3,7-8H2,1H3,(H,21,22)(H2,18,19,20).
What are the key properties of 1-cyclopentyl-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine?
1-cyclopentyl-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine has a molecular weight of 308.39 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine is sourced from PubChem (CID 56944277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).