N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylquinazolin-4-amine

C19H19F3N4O — CID 166636343

IUPACN-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylquinazolin-4-amine
SMILESCOc1ccc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C19H19F3N4O/c1-10(12-6-13(19(20,21)22)8-14(23)7-12)24-18-16-9-15(27-3)4-5-17(16)25-11(2)26-18/h4-10H,23H2,1-3H3,(H,24,25,26)/t10-/m1/s1
InChIKeyJUCJMPINNBUTGX-SNVBAGLBSA-N
MW376.38 g/mol
LogP4.72
Rot. Bonds4

About N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylquinazolin-4-amine

N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylquinazolin-4-amine (PubChem CID 166636343) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylquinazolin-4-amine
PubChem CID166636343
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC NameN-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylquinazolin-4-amine
SMILESCOc1ccc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C19H19F3N4O/c1-10(12-6-13(19(20,21)22)8-14(23)7-12)24-18-16-9-15(27-3)4-5-17(16)25-11(2)26-18/h4-10H,23H2,1-3H3,(H,24,25,26)/t10-/m1/s1
InChIKeyJUCJMPINNBUTGX-SNVBAGLBSA-N
XLogP4.72
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylquinazolin-4-amine?
The IUPAC name of N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylquinazolin-4-amine (CID 166636343) is N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylquinazolin-4-amine.
What is the SMILES notation for N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylquinazolin-4-amine?
The canonical SMILES for N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylquinazolin-4-amine is COc1ccc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)c2c1.
What is the InChIKey of N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylquinazolin-4-amine?
The InChIKey is JUCJMPINNBUTGX-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H19F3N4O/c1-10(12-6-13(19(20,21)22)8-14(23)7-12)24-18-16-9-15(27-3)4-5-17(16)25-11(2)26-18/h4-10H,23H2,1-3H3,(H,24,25,26)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylquinazolin-4-amine?
N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylquinazolin-4-amine has a molecular weight of 376.38 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methylquinazolin-4-amine is sourced from PubChem (CID 166636343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).