N-tert-butyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine

C15H18F3N3O2 — CID 21003434

IUPACN-tert-butyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
SMILESCOc1cc2nc(C(F)(F)F)nc(NC(C)(C)C)c2cc1OC
InChIInChI=1S/C15H18F3N3O2/c1-14(2,3)21-12-8-6-10(22-4)11(23-5)7-9(8)19-13(20-12)15(16,17)18/h6-7H,1-5H3,(H,19,20,21)
InChIKeyVULHDPWTQWZAOM-UHFFFAOYSA-N
MW329.32 g/mol
LogP3.88
Rot. Bonds3

About N-tert-butyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine

N-tert-butyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 21003434) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is N-tert-butyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID21003434
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC NameN-tert-butyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
SMILESCOc1cc2nc(C(F)(F)F)nc(NC(C)(C)C)c2cc1OC
InChIInChI=1S/C15H18F3N3O2/c1-14(2,3)21-12-8-6-10(22-4)11(23-5)7-9(8)19-13(20-12)15(16,17)18/h6-7H,1-5H3,(H,19,20,21)
InChIKeyVULHDPWTQWZAOM-UHFFFAOYSA-N
XLogP3.88
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol
CID 110433148
N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003443
N-benzyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003392
N-tert-butyl-6-(2-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 5330923
N-cyclohexyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003381
4-chloro-6,7-dimethoxy-2-(trifluoromethyl)quinazoline
CID 22693550
4-[[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoic acid
CID 21003534
6,7-dimethoxy-N-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003457
2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]pentanoic acid
CID 21003476
6,7-dimethoxy-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 21003498
4-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-hydroxybenzoic acid
CID 21003513
N-[4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-yl]formamide
CID 5330916

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-tert-butyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine (CID 21003434) is N-tert-butyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-tert-butyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-tert-butyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine is COc1cc2nc(C(F)(F)F)nc(NC(C)(C)C)c2cc1OC.
What is the InChIKey of N-tert-butyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is VULHDPWTQWZAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c1-14(2,3)21-12-8-6-10(22-4)11(23-5)7-9(8)19-13(20-12)15(16,17)18/h6-7H,1-5H3,(H,19,20,21).
What are the key properties of N-tert-butyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine?
N-tert-butyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 329.32 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 21003434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).