6-N-(2-amino-2-phenylethyl)-4-N-tert-butyl-1,3-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine

C19H27N7 — CID 155413675

IUPAC6-N-(2-amino-2-phenylethyl)-4-N-tert-butyl-1,3-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCc1nn(C)c2nc(NCC(N)c3ccccc3)nc(NC(C)(C)C)c12
InChIInChI=1S/C19H27N7/c1-12-15-16(24-19(2,3)4)22-18(23-17(15)26(5)25-12)21-11-14(20)13-9-7-6-8-10-13/h6-10,14H,11,20H2,1-5H3,(H2,21,22,23,24)
InChIKeyNAXXUKLBXGRZLO-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.99
Rot. Bonds5

About 6-N-(2-amino-2-phenylethyl)-4-N-tert-butyl-1,3-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine

6-N-(2-amino-2-phenylethyl)-4-N-tert-butyl-1,3-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 155413675) has the molecular formula C19H27N7 and a molecular weight of 353.47 g/mol. Its IUPAC name is 6-N-(2-amino-2-phenylethyl)-4-N-tert-butyl-1,3-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-amino-2-phenylethyl)-4-N-tert-butyl-1,3-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID155413675
Molecular FormulaC19H27N7
Molecular Weight353.47 g/mol
Exact Mass353.23
IUPAC Name6-N-(2-amino-2-phenylethyl)-4-N-tert-butyl-1,3-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCc1nn(C)c2nc(NCC(N)c3ccccc3)nc(NC(C)(C)C)c12
InChIInChI=1S/C19H27N7/c1-12-15-16(24-19(2,3)4)22-18(23-17(15)26(5)25-12)21-11-14(20)13-9-7-6-8-10-13/h6-10,14H,11,20H2,1-5H3,(H2,21,22,23,24)
InChIKeyNAXXUKLBXGRZLO-UHFFFAOYSA-N
XLogP2.99
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2-amino-2-phenylethyl)-4-N-tert-butyl-1,3-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-amino-2-phenylethyl)-4-N-tert-butyl-1,3-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 155413675) is 6-N-(2-amino-2-phenylethyl)-4-N-tert-butyl-1,3-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-amino-2-phenylethyl)-4-N-tert-butyl-1,3-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-amino-2-phenylethyl)-4-N-tert-butyl-1,3-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine is Cc1nn(C)c2nc(NCC(N)c3ccccc3)nc(NC(C)(C)C)c12.
What is the InChIKey of 6-N-(2-amino-2-phenylethyl)-4-N-tert-butyl-1,3-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is NAXXUKLBXGRZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7/c1-12-15-16(24-19(2,3)4)22-18(23-17(15)26(5)25-12)21-11-14(20)13-9-7-6-8-10-13/h6-10,14H,11,20H2,1-5H3,(H2,21,22,23,24).
What are the key properties of 6-N-(2-amino-2-phenylethyl)-4-N-tert-butyl-1,3-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
6-N-(2-amino-2-phenylethyl)-4-N-tert-butyl-1,3-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 353.47 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-amino-2-phenylethyl)-4-N-tert-butyl-1,3-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 155413675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).