N-(3-methylphenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

C17H20N6 — CID 91756034

IUPACN-(3-methylphenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cccc(Nc2ncnc3c2cnn3C2CCNCC2)c1
InChIInChI=1S/C17H20N6/c1-12-3-2-4-13(9-12)22-16-15-10-21-23(17(15)20-11-19-16)14-5-7-18-8-6-14/h2-4,9-11,14,18H,5-8H2,1H3,(H,19,20,22)
InChIKeyRXUORFQYNJASNJ-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.80
Rot. Bonds3

About N-(3-methylphenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

N-(3-methylphenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 91756034) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is N-(3-methylphenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID91756034
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC NameN-(3-methylphenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cccc(Nc2ncnc3c2cnn3C2CCNCC2)c1
InChIInChI=1S/C17H20N6/c1-12-3-2-4-13(9-12)22-16-15-10-21-23(17(15)20-11-19-16)14-5-7-18-8-6-14/h2-4,9-11,14,18H,5-8H2,1H3,(H,19,20,22)
InChIKeyRXUORFQYNJASNJ-UHFFFAOYSA-N
XLogP2.80
TPSA67.66 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 ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-iodophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 91755831
N-(2,3-difluorophenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 91755669
N-[(2,6-difluorophenyl)methyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 91756043
N-[2,5-bis(trifluoromethyl)phenyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 91756003
1-(4-methoxyphenyl)-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 661214
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 91755812
1-cyclopentyl-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 56944277
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
1-cyclopropyl-N-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 121365312
3-[[6-(3-hydroxyphenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl]amino]benzamide
CID 44621700
N-(3-chloro-4-methylphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4531059
2,4-bis[4-(3-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pentan-3-one
CID 140999197

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-methylphenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 91756034) is N-(3-methylphenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-methylphenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-methylphenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1cccc(Nc2ncnc3c2cnn3C2CCNCC2)c1.
What is the InChIKey of N-(3-methylphenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is RXUORFQYNJASNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-12-3-2-4-13(9-12)22-16-15-10-21-23(17(15)20-11-19-16)14-5-7-18-8-6-14/h2-4,9-11,14,18H,5-8H2,1H3,(H,19,20,22).
What are the key properties of N-(3-methylphenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(3-methylphenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 308.39 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 91756034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).