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

C16H19N5O — CID 661260

IUPAC1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-n2ncc3c(NCC(C)C)ncnc32)cc1
InChIInChI=1S/C16H19N5O/c1-11(2)8-17-15-14-9-20-21(16(14)19-10-18-15)12-4-6-13(22-3)7-5-12/h4-7,9-11H,8H2,1-3H3,(H,17,18,19)
InChIKeyLEZYJXVGFRIPMV-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.89
Rot. Bonds5

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

1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 661260) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID661260
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-n2ncc3c(NCC(C)C)ncnc32)cc1
InChIInChI=1S/C16H19N5O/c1-11(2)8-17-15-14-9-20-21(16(14)19-10-18-15)12-4-6-13(22-3)7-5-12/h4-7,9-11H,8H2,1-3H3,(H,17,18,19)
InChIKeyLEZYJXVGFRIPMV-UHFFFAOYSA-N
XLogP2.89
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.89
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-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 661260) is 1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(-n2ncc3c(NCC(C)C)ncnc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LEZYJXVGFRIPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-11(2)8-17-15-14-9-20-21(16(14)19-10-18-15)12-4-6-13(22-3)7-5-12/h4-7,9-11H,8H2,1-3H3,(H,17,18,19).
What are the key properties of 1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 297.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 661260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).