N-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C20H19N5 — CID 930210

IUPACN-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(Cn2ncc3c(Nc4ccc(C)cc4)ncnc32)cc1
InChIInChI=1S/C20H19N5/c1-14-3-7-16(8-4-14)12-25-20-18(11-23-25)19(21-13-22-20)24-17-9-5-15(2)6-10-17/h3-11,13H,12H2,1-2H3,(H,21,22,24)
InChIKeyFTYJVJJYTRJAEI-UHFFFAOYSA-N
MW329.41 g/mol
LogP4.24
Rot. Bonds4

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

N-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 930210) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID930210
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC NameN-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(Cn2ncc3c(Nc4ccc(C)cc4)ncnc32)cc1
InChIInChI=1S/C20H19N5/c1-14-3-7-16(8-4-14)12-25-20-18(11-23-25)19(21-13-22-20)24-17-9-5-15(2)6-10-17/h3-11,13H,12H2,1-2H3,(H,21,22,24)
InChIKeyFTYJVJJYTRJAEI-UHFFFAOYSA-N
XLogP4.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 930210) is N-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccc(Cn2ncc3c(Nc4ccc(C)cc4)ncnc32)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FTYJVJJYTRJAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-14-3-7-16(8-4-14)12-25-20-18(11-23-25)19(21-13-22-20)24-17-9-5-15(2)6-10-17/h3-11,13H,12H2,1-2H3,(H,21,22,24).
What are the key properties of N-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
N-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 329.41 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 930210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).