N-(2-methylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C19H17N5 — CID 721032

IUPACN-(2-methylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(-n2ncc3c(Nc4ccccc4C)ncnc32)cc1
InChIInChI=1S/C19H17N5/c1-13-7-9-15(10-8-13)24-19-16(11-22-24)18(20-12-21-19)23-17-6-4-3-5-14(17)2/h3-12H,1-2H3,(H,20,21,23)
InChIKeyCCSYLKZAGQXTIP-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.18
Rot. Bonds3

About N-(2-methylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

N-(2-methylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 721032) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-(2-methylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID721032
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC NameN-(2-methylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(-n2ncc3c(Nc4ccccc4C)ncnc32)cc1
InChIInChI=1S/C19H17N5/c1-13-7-9-15(10-8-13)24-19-16(11-22-24)18(20-12-21-19)23-17-6-4-3-5-14(17)2/h3-12H,1-2H3,(H,20,21,23)
InChIKeyCCSYLKZAGQXTIP-UHFFFAOYSA-N
XLogP4.18
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2-methylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 721032) is N-(2-methylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccc(-n2ncc3c(Nc4ccccc4C)ncnc32)cc1.
What is the InChIKey of N-(2-methylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is CCSYLKZAGQXTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-13-7-9-15(10-8-13)24-19-16(11-22-24)18(20-12-21-19)23-17-6-4-3-5-14(17)2/h3-12H,1-2H3,(H,20,21,23).
What are the key properties of N-(2-methylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-(2-methylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 315.38 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 721032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).