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

C15H17N5O — CID 24905168

IUPAC3-(4-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2nn(C(C)C)c3ncnc(N)c23)cc1
InChIInChI=1S/C15H17N5O/c1-9(2)20-15-12(14(16)17-8-18-15)13(19-20)10-4-6-11(21-3)7-5-10/h4-9H,1-3H3,(H2,16,17,18)
InChIKeyDUPSNQFPAJUAKA-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.66
Rot. Bonds3

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

3-(4-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905168) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905168
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name3-(4-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2nn(C(C)C)c3ncnc(N)c23)cc1
InChIInChI=1S/C15H17N5O/c1-9(2)20-15-12(14(16)17-8-18-15)13(19-20)10-4-6-11(21-3)7-5-10/h4-9H,1-3H3,(H2,16,17,18)
InChIKeyDUPSNQFPAJUAKA-UHFFFAOYSA-N
XLogP2.66
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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1H-Pyrazolo[3,4-d]pyriMidin-4-aMine, 1-[trans-4-(4-Methyl-1-piperazinyl)cyclohexyl]-3-(4-phenoxyphenyl)-
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Tert-Butyl {4-[4-Amino-1-(Propan-2-Yl)-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl]-2-Methoxyphenyl}carbamate
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CID 44556112
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CID 53346432

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(4-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 24905168) is 3-(4-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(-c2nn(C(C)C)c3ncnc(N)c23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DUPSNQFPAJUAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-9(2)20-15-12(14(16)17-8-18-15)13(19-20)10-4-6-11(21-3)7-5-10/h4-9H,1-3H3,(H2,16,17,18).
What are the key properties of 3-(4-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(4-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 283.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).