1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

C11H10N6 — CID 134693866

IUPAC1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(N)nc(-c3cccnc3)nc21
InChIInChI=1S/C11H10N6/c1-17-11-8(6-14-17)9(12)15-10(16-11)7-3-2-4-13-5-7/h2-6H,1H3,(H2,12,15,16)
InChIKeyRWOFPWSZGRSDPB-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.01
Rot. Bonds1

About 1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 134693866) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID134693866
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(N)nc(-c3cccnc3)nc21
InChIInChI=1S/C11H10N6/c1-17-11-8(6-14-17)9(12)15-10(16-11)7-3-2-4-13-5-7/h2-6H,1H3,(H2,12,15,16)
InChIKeyRWOFPWSZGRSDPB-UHFFFAOYSA-N
XLogP1.01
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 134693866) is 1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(N)nc(-c3cccnc3)nc21.
What is the InChIKey of 1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is RWOFPWSZGRSDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c1-17-11-8(6-14-17)9(12)15-10(16-11)7-3-2-4-13-5-7/h2-6H,1H3,(H2,12,15,16).
What are the key properties of 1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 226.24 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 134693866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).