1-methyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine

C16H13N5 — CID 711530

IUPAC1-methyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(Nc3cccc4ccccc34)ncnc21
InChIInChI=1S/C16H13N5/c1-21-16-13(9-19-21)15(17-10-18-16)20-14-8-4-6-11-5-2-3-7-12(11)14/h2-10H,1H3,(H,17,18,20)
InChIKeyHNZSQYGFRTWXFW-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.26
Rot. Bonds2

About 1-methyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 711530) has the molecular formula C16H13N5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-methyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID711530
Molecular FormulaC16H13N5
Molecular Weight275.31 g/mol
Exact Mass275.12
IUPAC Name1-methyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(Nc3cccc4ccccc34)ncnc21
InChIInChI=1S/C16H13N5/c1-21-16-13(9-19-21)15(17-10-18-16)20-14-8-4-6-11-5-2-3-7-12(11)14/h2-10H,1H3,(H,17,18,20)
InChIKeyHNZSQYGFRTWXFW-UHFFFAOYSA-N
XLogP3.26
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 711530) is 1-methyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(Nc3cccc4ccccc34)ncnc21.
What is the InChIKey of 1-methyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is HNZSQYGFRTWXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c1-21-16-13(9-19-21)15(17-10-18-16)20-14-8-4-6-11-5-2-3-7-12(11)14/h2-10H,1H3,(H,17,18,20).
What are the key properties of 1-methyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 275.31 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 711530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).