6-(methoxymethyl)-1-methyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine

C17H22N6O — CID 56886094

About 6-(methoxymethyl)-1-methyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine

6-(methoxymethyl)-1-methyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56886094) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-(methoxymethyl)-1-methyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-(methoxymethyl)-1-methyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 56886094
• Molecular Formula: C17H22N6O
• Molecular Weight: 326.40 g/mol
• Exact Mass: 326.19
• IUPAC Name: 6-(methoxymethyl)-1-methyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: COCc1nc(NC(C)Cc2ncccc2C)c2cnn(C)c2n1
• InChI: InChI=1S/C17H22N6O/c1-11-6-5-7-18-14(11)8-12(2)20-16-13-9-19-23(3)17(13)22-15(21-16)10-24-4/h5-7,9,12H,8,10H2,1-4H3,(H,20,21,22)
• InChIKey: LHXSJCRCLRNNNT-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 77.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.40
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-1-methyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 6-(methoxymethyl)-1-methyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 56886094) is 6-(methoxymethyl)-1-methyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 6-(methoxymethyl)-1-methyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 6-(methoxymethyl)-1-methyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine is COCc1nc(NC(C)Cc2ncccc2C)c2cnn(C)c2n1.

What is the InChIKey of 6-(methoxymethyl)-1-methyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is LHXSJCRCLRNNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-11-6-5-7-18-14(11)8-12(2)20-16-13-9-19-23(3)17(13)22-15(21-16)10-24-4/h5-7,9,12H,8,10H2,1-4H3,(H,20,21,22).

What are the key properties of 6-(methoxymethyl)-1-methyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?

6-(methoxymethyl)-1-methyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 326.40 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(methoxymethyl)-1-methyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56886094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).