6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(1-methylcyclobutyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine

C19H25N7 — CID 155413642

IUPAC6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(1-methylcyclobutyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCn1ncc2c(NC3(C)CCC3)nc(NC[C@H](N)c3ccccc3)nc21
InChIInChI=1S/C19H25N7/c1-19(9-6-10-19)25-16-14-11-22-26(2)17(14)24-18(23-16)21-12-15(20)13-7-4-3-5-8-13/h3-5,7-8,11,15H,6,9-10,12,20H2,1-2H3,(H2,21,23,24,25)/t15-/m0/s1
InChIKeyHATDTYJOSPDZLI-HNNXBMFYSA-N
MW351.46 g/mol
LogP2.83
Rot. Bonds6

About 6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(1-methylcyclobutyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine

6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(1-methylcyclobutyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 155413642) has the molecular formula C19H25N7 and a molecular weight of 351.46 g/mol. Its IUPAC name is 6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(1-methylcyclobutyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(1-methylcyclobutyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID155413642
Molecular FormulaC19H25N7
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC Name6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(1-methylcyclobutyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCn1ncc2c(NC3(C)CCC3)nc(NC[C@H](N)c3ccccc3)nc21
InChIInChI=1S/C19H25N7/c1-19(9-6-10-19)25-16-14-11-22-26(2)17(14)24-18(23-16)21-12-15(20)13-7-4-3-5-8-13/h3-5,7-8,11,15H,6,9-10,12,20H2,1-2H3,(H2,21,23,24,25)/t15-/m0/s1
InChIKeyHATDTYJOSPDZLI-HNNXBMFYSA-N
XLogP2.83
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(1-methylcyclobutyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(1-methylcyclobutyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 155413642) is 6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(1-methylcyclobutyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(1-methylcyclobutyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(1-methylcyclobutyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine is Cn1ncc2c(NC3(C)CCC3)nc(NC[C@H](N)c3ccccc3)nc21.
What is the InChIKey of 6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(1-methylcyclobutyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is HATDTYJOSPDZLI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N7/c1-19(9-6-10-19)25-16-14-11-22-26(2)17(14)24-18(23-16)21-12-15(20)13-7-4-3-5-8-13/h3-5,7-8,11,15H,6,9-10,12,20H2,1-2H3,(H2,21,23,24,25)/t15-/m0/s1.
What are the key properties of 6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(1-methylcyclobutyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(1-methylcyclobutyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 351.46 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(1-methylcyclobutyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 155413642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).