N-[(4-fluorophenyl)methyl]-N-methyl-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine

C21H16FN7 — CID 137366863

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine
SMILESCN(Cc1ccc(F)cc1)c1ncc2cc(-c3ncnc4[nH]ncc34)ccc2n1
InChIInChI=1S/C21H16FN7/c1-29(11-13-2-5-16(22)6-3-13)21-23-9-15-8-14(4-7-18(15)27-21)19-17-10-26-28-20(17)25-12-24-19/h2-10,12H,11H2,1H3,(H,24,25,26,28)
InChIKeyBRXZUGUQBWYVPW-UHFFFAOYSA-N
MW385.41 g/mol
LogP3.74
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-N-methyl-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine

N-[(4-fluorophenyl)methyl]-N-methyl-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine (PubChem CID 137366863) has the molecular formula C21H16FN7 and a molecular weight of 385.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine
PubChem CID137366863
Molecular FormulaC21H16FN7
Molecular Weight385.41 g/mol
Exact Mass385.15
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine
SMILESCN(Cc1ccc(F)cc1)c1ncc2cc(-c3ncnc4[nH]ncc34)ccc2n1
InChIInChI=1S/C21H16FN7/c1-29(11-13-2-5-16(22)6-3-13)21-23-9-15-8-14(4-7-18(15)27-21)19-17-10-26-28-20(17)25-12-24-19/h2-10,12H,11H2,1H3,(H,24,25,26,28)
InChIKeyBRXZUGUQBWYVPW-UHFFFAOYSA-N
XLogP3.74
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-fluorophenyl)methyl]-N-methyl-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine (CID 137366863) is N-[(4-fluorophenyl)methyl]-N-methyl-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine is CN(Cc1ccc(F)cc1)c1ncc2cc(-c3ncnc4[nH]ncc34)ccc2n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine?
The InChIKey is BRXZUGUQBWYVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN7/c1-29(11-13-2-5-16(22)6-3-13)21-23-9-15-8-14(4-7-18(15)27-21)19-17-10-26-28-20(17)25-12-24-19/h2-10,12H,11H2,1H3,(H,24,25,26,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine?
N-[(4-fluorophenyl)methyl]-N-methyl-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine has a molecular weight of 385.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine is sourced from PubChem (CID 137366863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).