N,N-dimethyl-1-tritylpyrazolo[5,4-d]pyrimidin-4-amine

C26H23N5 — CID 174995659

IUPACN,N-dimethyl-1-tritylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(C)c1ncnc2c1cnn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H23N5/c1-30(2)24-23-18-29-31(25(23)28-19-27-24)26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19H,1-2H3
InChIKeySBMZFHOZUNXMMS-UHFFFAOYSA-N
MW405.51 g/mol
LogP4.73
Rot. Bonds5

About N,N-dimethyl-1-tritylpyrazolo[5,4-d]pyrimidin-4-amine

N,N-dimethyl-1-tritylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 174995659) has the molecular formula C26H23N5 and a molecular weight of 405.51 g/mol. Its IUPAC name is N,N-dimethyl-1-tritylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-tritylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID174995659
Molecular FormulaC26H23N5
Molecular Weight405.51 g/mol
Exact Mass405.20
IUPAC NameN,N-dimethyl-1-tritylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(C)c1ncnc2c1cnn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H23N5/c1-30(2)24-23-18-29-31(25(23)28-19-27-24)26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19H,1-2H3
InChIKeySBMZFHOZUNXMMS-UHFFFAOYSA-N
XLogP4.73
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3-iodo-N,N-dimethyl-1-tritylpyrazolo[5,4-d]pyrimidin-4-amine
CID 135372917
1-tritylpyrazolo[3,4-d]pyrimidine
CID 123834487
5-fluoro-1-tritylpyrazolo[3,4-b]pyridine
CID 141346656
N-(2-cyclopropylethyl)-N-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-amine
CID 133398554
1-N-benzyl-2-N-(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine
CID 133435832
N,N-dimethylquinazolin-4-amine;hydrochloride
CID 174283261
N-methyl-1-phenyl-N-phenylmethoxypyrazolo[5,4-d]pyrimidin-4-amine
CID 133423276
5-(4-methylphenyl)-1-trityl-1,2,4-triazole
CID 22358185
2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-N,N-dimethylaniline
CID 91324401
N,1-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 95129741
N-ethyl-1-phenyl-N-(3,3,3-trifluoropropyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 133279240
4-(5-bromo-3-propan-2-yl-1H-indol-2-yl)-1-tritylpyrazolo[3,4-b]pyridine
CID 154639326

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-tritylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-1-tritylpyrazolo[5,4-d]pyrimidin-4-amine (CID 174995659) is N,N-dimethyl-1-tritylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-tritylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-tritylpyrazolo[5,4-d]pyrimidin-4-amine is CN(C)c1ncnc2c1cnn2C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-1-tritylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is SBMZFHOZUNXMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5/c1-30(2)24-23-18-29-31(25(23)28-19-27-24)26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19H,1-2H3.
What are the key properties of N,N-dimethyl-1-tritylpyrazolo[5,4-d]pyrimidin-4-amine?
N,N-dimethyl-1-tritylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 405.51 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-tritylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 174995659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).