N-(2,2-diphenylethyl)-2-pyrazolo[1,5-a]pyrimidin-6-ylquinazolin-4-amine

C28H22N6 — CID 121377267

IUPACN-(2,2-diphenylethyl)-2-pyrazolo[1,5-a]pyrimidin-6-ylquinazolin-4-amine
SMILESc1ccc(C(CNc2nc(-c3cnc4ccnn4c3)nc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C28H22N6/c1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)18-30-28-23-13-7-8-14-25(23)32-27(33-28)22-17-29-26-15-16-31-34(26)19-22/h1-17,19,24H,18H2,(H,30,32,33)
InChIKeyFEECYIOSMCSOGJ-UHFFFAOYSA-N
MW442.53 g/mol
LogP5.58
Rot. Bonds6

About N-(2,2-diphenylethyl)-2-pyrazolo[1,5-a]pyrimidin-6-ylquinazolin-4-amine

N-(2,2-diphenylethyl)-2-pyrazolo[1,5-a]pyrimidin-6-ylquinazolin-4-amine (PubChem CID 121377267) has the molecular formula C28H22N6 and a molecular weight of 442.53 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-2-pyrazolo[1,5-a]pyrimidin-6-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-2-pyrazolo[1,5-a]pyrimidin-6-ylquinazolin-4-amine
PubChem CID121377267
Molecular FormulaC28H22N6
Molecular Weight442.53 g/mol
Exact Mass442.19
IUPAC NameN-(2,2-diphenylethyl)-2-pyrazolo[1,5-a]pyrimidin-6-ylquinazolin-4-amine
SMILESc1ccc(C(CNc2nc(-c3cnc4ccnn4c3)nc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C28H22N6/c1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)18-30-28-23-13-7-8-14-25(23)32-27(33-28)22-17-29-26-15-16-31-34(26)19-22/h1-17,19,24H,18H2,(H,30,32,33)
InChIKeyFEECYIOSMCSOGJ-UHFFFAOYSA-N
XLogP5.58
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.53
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-imidazo[1,2-a]pyrimidin-6-yl-N-(2-phenyl-2-pyridin-4-ylethyl)quinazolin-4-amine
CID 121377359
N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 121377208
N-(2,2-diphenylethyl)-2-(1H-indazol-6-yl)quinazolin-4-amine
CID 121377327
N-(2,2-diphenylethyl)-2-quinolin-8-ylquinazolin-4-amine
CID 121377287
N-(2,2-diphenylethyl)-2-(2-methylisoindol-4-yl)quinazolin-4-amine
CID 121388227
2-[2-(dimethylamino)pyrimidin-5-yl]-N-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-2-phenylethyl]quinazolin-4-amine
CID 121377264
1-(1-methylpyrazol-4-yl)-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol
CID 133323500
N-[4-[4-[(2-phenyl-2-pyridin-3-ylethyl)amino]quinazolin-2-yl]phenyl]methanesulfonamide
CID 121378099
N-[4-[4-[(2-phenyl-2-pyrimidin-2-ylethyl)amino]quinazolin-2-yl]phenyl]methanesulfonamide
CID 121378089
2-(2-amino-6-methyl-3-pyridinyl)-N-(2,2-diphenylethyl)quinazolin-4-amine
CID 121377251
N-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 166217645
N-[2-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]-2-phenylethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]quinazolin-4-amine
CID 121388225

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-2-pyrazolo[1,5-a]pyrimidin-6-ylquinazolin-4-amine?
The IUPAC name of N-(2,2-diphenylethyl)-2-pyrazolo[1,5-a]pyrimidin-6-ylquinazolin-4-amine (CID 121377267) is N-(2,2-diphenylethyl)-2-pyrazolo[1,5-a]pyrimidin-6-ylquinazolin-4-amine.
What is the SMILES notation for N-(2,2-diphenylethyl)-2-pyrazolo[1,5-a]pyrimidin-6-ylquinazolin-4-amine?
The canonical SMILES for N-(2,2-diphenylethyl)-2-pyrazolo[1,5-a]pyrimidin-6-ylquinazolin-4-amine is c1ccc(C(CNc2nc(-c3cnc4ccnn4c3)nc3ccccc23)c2ccccc2)cc1.
What is the InChIKey of N-(2,2-diphenylethyl)-2-pyrazolo[1,5-a]pyrimidin-6-ylquinazolin-4-amine?
The InChIKey is FEECYIOSMCSOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N6/c1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)18-30-28-23-13-7-8-14-25(23)32-27(33-28)22-17-29-26-15-16-31-34(26)19-22/h1-17,19,24H,18H2,(H,30,32,33).
What are the key properties of N-(2,2-diphenylethyl)-2-pyrazolo[1,5-a]pyrimidin-6-ylquinazolin-4-amine?
N-(2,2-diphenylethyl)-2-pyrazolo[1,5-a]pyrimidin-6-ylquinazolin-4-amine has a molecular weight of 442.53 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-2-pyrazolo[1,5-a]pyrimidin-6-ylquinazolin-4-amine is sourced from PubChem (CID 121377267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).