3-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C15H17N5 — CID 53345582

IUPAC3-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nn(C(C)C)c3ncnc(N)c23)cc1
InChIInChI=1S/C15H17N5/c1-9(2)20-15-12(14(16)17-8-18-15)13(19-20)11-6-4-10(3)5-7-11/h4-9H,1-3H3,(H2,16,17,18)
InChIKeyMILDDBYLPYUFOX-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.96
Rot. Bonds2

About 3-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 53345582) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID53345582
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name3-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nn(C(C)C)c3ncnc(N)c23)cc1
InChIInChI=1S/C15H17N5/c1-9(2)20-15-12(14(16)17-8-18-15)13(19-20)11-6-4-10(3)5-7-11/h4-9H,1-3H3,(H2,16,17,18)
InChIKeyMILDDBYLPYUFOX-UHFFFAOYSA-N
XLogP2.96
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 53345582) is 3-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccc(-c2nn(C(C)C)c3ncnc(N)c23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MILDDBYLPYUFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-9(2)20-15-12(14(16)17-8-18-15)13(19-20)11-6-4-10(3)5-7-11/h4-9H,1-3H3,(H2,16,17,18).
What are the key properties of 3-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 267.34 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 53345582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).