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

C15H17N5O — CID 661070

IUPAC1-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-n2ncc3c(NC(C)C)ncnc32)cc1
InChIInChI=1S/C15H17N5O/c1-10(2)19-14-13-8-18-20(15(13)17-9-16-14)11-4-6-12(21-3)7-5-11/h4-10H,1-3H3,(H,16,17,19)
InChIKeyZJGIFPHYFDBBPO-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.64
Rot. Bonds4

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

1-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 661070) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID661070
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name1-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-n2ncc3c(NC(C)C)ncnc32)cc1
InChIInChI=1S/C15H17N5O/c1-10(2)19-14-13-8-18-20(15(13)17-9-16-14)11-4-6-12(21-3)7-5-11/h4-10H,1-3H3,(H,16,17,19)
InChIKeyZJGIFPHYFDBBPO-UHFFFAOYSA-N
XLogP2.64
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 661070) is 1-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(-n2ncc3c(NC(C)C)ncnc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ZJGIFPHYFDBBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-10(2)19-14-13-8-18-20(15(13)17-9-16-14)11-4-6-12(21-3)7-5-11/h4-10H,1-3H3,(H,16,17,19).
What are the key properties of 1-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 283.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 661070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).