1-methyl-N-[(4-methylphenyl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

C19H18N6 — CID 56892081

IUPAC1-methyl-N-[(4-methylphenyl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(CNc2nc(-c3ccncc3)nc3c2cnn3C)cc1
InChIInChI=1S/C19H18N6/c1-13-3-5-14(6-4-13)11-21-18-16-12-22-25(2)19(16)24-17(23-18)15-7-9-20-10-8-15/h3-10,12H,11H2,1-2H3,(H,21,23,24)
InChIKeyWITZSGLBPVVJOQ-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.35
Rot. Bonds4

About 1-methyl-N-[(4-methylphenyl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-[(4-methylphenyl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56892081) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-methyl-N-[(4-methylphenyl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(4-methylphenyl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56892081
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Name1-methyl-N-[(4-methylphenyl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(CNc2nc(-c3ccncc3)nc3c2cnn3C)cc1
InChIInChI=1S/C19H18N6/c1-13-3-5-14(6-4-13)11-21-18-16-12-22-25(2)19(16)24-17(23-18)15-7-9-20-10-8-15/h3-10,12H,11H2,1-2H3,(H,21,23,24)
InChIKeyWITZSGLBPVVJOQ-UHFFFAOYSA-N
XLogP3.35
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methylphenyl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-[(4-methylphenyl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 56892081) is 1-methyl-N-[(4-methylphenyl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-[(4-methylphenyl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-[(4-methylphenyl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccc(CNc2nc(-c3ccncc3)nc3c2cnn3C)cc1.
What is the InChIKey of 1-methyl-N-[(4-methylphenyl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WITZSGLBPVVJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-13-3-5-14(6-4-13)11-21-18-16-12-22-25(2)19(16)24-17(23-18)15-7-9-20-10-8-15/h3-10,12H,11H2,1-2H3,(H,21,23,24).
What are the key properties of 1-methyl-N-[(4-methylphenyl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-[(4-methylphenyl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 330.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methylphenyl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56892081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).