6-N-benzyl-4-N-(1,5-dimethylpyrazol-3-yl)-4-N,1-dimethylpyrazolo[5,4-d]pyrimidine-4,6-diamine

C19H22N8 — CID 118671232

IUPAC6-N-benzyl-4-N-(1,5-dimethylpyrazol-3-yl)-4-N,1-dimethylpyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCc1cc(N(C)c2nc(NCc3ccccc3)nc3c2cnn3C)nn1C
InChIInChI=1S/C19H22N8/c1-13-10-16(24-26(13)3)25(2)17-15-12-21-27(4)18(15)23-19(22-17)20-11-14-8-6-5-7-9-14/h5-10,12H,11H2,1-4H3,(H,20,22,23)
InChIKeySUYNKRLMTMFAEV-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.79
Rot. Bonds5

About 6-N-benzyl-4-N-(1,5-dimethylpyrazol-3-yl)-4-N,1-dimethylpyrazolo[5,4-d]pyrimidine-4,6-diamine

6-N-benzyl-4-N-(1,5-dimethylpyrazol-3-yl)-4-N,1-dimethylpyrazolo[5,4-d]pyrimidine-4,6-diamine (PubChem CID 118671232) has the molecular formula C19H22N8 and a molecular weight of 362.44 g/mol. Its IUPAC name is 6-N-benzyl-4-N-(1,5-dimethylpyrazol-3-yl)-4-N,1-dimethylpyrazolo[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-benzyl-4-N-(1,5-dimethylpyrazol-3-yl)-4-N,1-dimethylpyrazolo[5,4-d]pyrimidine-4,6-diamine
PubChem CID118671232
Molecular FormulaC19H22N8
Molecular Weight362.44 g/mol
Exact Mass362.20
IUPAC Name6-N-benzyl-4-N-(1,5-dimethylpyrazol-3-yl)-4-N,1-dimethylpyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCc1cc(N(C)c2nc(NCc3ccccc3)nc3c2cnn3C)nn1C
InChIInChI=1S/C19H22N8/c1-13-10-16(24-26(13)3)25(2)17-15-12-21-27(4)18(15)23-19(22-17)20-11-14-8-6-5-7-9-14/h5-10,12H,11H2,1-4H3,(H,20,22,23)
InChIKeySUYNKRLMTMFAEV-UHFFFAOYSA-N
XLogP2.79
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-4-N-(1,5-dimethylpyrazol-3-yl)-4-N,1-dimethylpyrazolo[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-benzyl-4-N-(1,5-dimethylpyrazol-3-yl)-4-N,1-dimethylpyrazolo[5,4-d]pyrimidine-4,6-diamine (CID 118671232) is 6-N-benzyl-4-N-(1,5-dimethylpyrazol-3-yl)-4-N,1-dimethylpyrazolo[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-benzyl-4-N-(1,5-dimethylpyrazol-3-yl)-4-N,1-dimethylpyrazolo[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-benzyl-4-N-(1,5-dimethylpyrazol-3-yl)-4-N,1-dimethylpyrazolo[5,4-d]pyrimidine-4,6-diamine is Cc1cc(N(C)c2nc(NCc3ccccc3)nc3c2cnn3C)nn1C.
What is the InChIKey of 6-N-benzyl-4-N-(1,5-dimethylpyrazol-3-yl)-4-N,1-dimethylpyrazolo[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is SUYNKRLMTMFAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8/c1-13-10-16(24-26(13)3)25(2)17-15-12-21-27(4)18(15)23-19(22-17)20-11-14-8-6-5-7-9-14/h5-10,12H,11H2,1-4H3,(H,20,22,23).
What are the key properties of 6-N-benzyl-4-N-(1,5-dimethylpyrazol-3-yl)-4-N,1-dimethylpyrazolo[5,4-d]pyrimidine-4,6-diamine?
6-N-benzyl-4-N-(1,5-dimethylpyrazol-3-yl)-4-N,1-dimethylpyrazolo[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 362.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-4-N-(1,5-dimethylpyrazol-3-yl)-4-N,1-dimethylpyrazolo[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 118671232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).