N-ethyl-6-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 5401-52-5

Details:

Name】
N-ethyl-6-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
【Iupac name】
N-ethyl-6-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
【CAS Registry number】
5401-52-5
【Synonyms】
n-ethyl-6-methyl-1-(4-methylphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
5401-52-5
NSC1619
AC1Q4VEZ
AC1L57LR
NSC-1619
AR-1K6946
N-ethyl-6-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
4-(ETHYLAMINO)-6-METHYL-1-(4-METHYLPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDINE
【Molecular Formula】
C15H17N5 (Products with the same molecular formula)
【Molecular Weight】
267.329
【Inchi】
InChI=1/C15H17N5/c1-4-16-14-13-9-17-20(15(13)19-11(3)18-14)12-7-5-10(2)6-8-12/h5-9H,4H2,1-3H3,(H,16,18,19)
【Canonical SMILES】
CCNC1=NC(=NC2=C1C=NN2C3=CC=C(C=C3)C)C
【MOL File】
5401-52-5.mol
Chemical and Physical Properties
【Density】
1.23g/cm3
【Boiling Point】
355.6°C at 760 mmHg
【Refractive Index】
1.66
【Flash Point】
168.9°C
【Computed Properties】
Molecular Weight:267.32898 [g/mol]
Molecular Formula:C15H17N5
XLogP3-AA:3.3
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:3
Tautomer Count:12
Exact Mass:267.148396
MonoIsotopic Mass:267.148396
Topological Polar Surface Area:55.6
Heavy Atom Count:20
Formal Charge:0
Complexity:315
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:3
Feature 3D Ring Count:3
Effective Rotor Count:3
Conformer Sampling RMSD:0.6