N-(furan-2-ylmethyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine

C15H12F3N3O — CID 21003570

IUPACN-(furan-2-ylmethyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
SMILESCc1ccc2nc(C(F)(F)F)nc(NCc3ccco3)c2c1
InChIInChI=1S/C15H12F3N3O/c1-9-4-5-12-11(7-9)13(19-8-10-3-2-6-22-10)21-14(20-12)15(16,17)18/h2-7H,8H2,1H3,(H,19,20,21)
InChIKeyBPNCFRZSUDRNBG-UHFFFAOYSA-N
MW307.28 g/mol
LogP4.16
Rot. Bonds3

About N-(furan-2-ylmethyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine

N-(furan-2-ylmethyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 21003570) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID21003570
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC NameN-(furan-2-ylmethyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
SMILESCc1ccc2nc(C(F)(F)F)nc(NCc3ccco3)c2c1
InChIInChI=1S/C15H12F3N3O/c1-9-4-5-12-11(7-9)13(19-8-10-3-2-6-22-10)21-14(20-12)15(16,17)18/h2-7H,8H2,1H3,(H,19,20,21)
InChIKeyBPNCFRZSUDRNBG-UHFFFAOYSA-N
XLogP4.16
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 64981586
N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 55377814
6-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 19779318
2-chloro-N-(furan-2-ylmethyl)-6-methoxyquinazolin-4-amine
CID 171562066
N,6-dimethyl-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine
CID 79660032
2-tert-butyl-4-N-(furan-2-ylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980628
4-N-benzyl-2-N,6-dimethylquinazoline-2,4-diamine
CID 138683087
2-tert-butyl-4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80980729
2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-phenylpropanoic acid
CID 21003630
4-N-(furan-2-ylmethyl)-6-methoxy-2-N-propan-2-ylquinazoline-2,4-diamine
CID 90676320
N-(furan-2-ylmethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430211
N-(3-chloro-4-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003580

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine (CID 21003570) is N-(furan-2-ylmethyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine is Cc1ccc2nc(C(F)(F)F)nc(NCc3ccco3)c2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is BPNCFRZSUDRNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c1-9-4-5-12-11(7-9)13(19-8-10-3-2-6-22-10)21-14(20-12)15(16,17)18/h2-7H,8H2,1H3,(H,19,20,21).
What are the key properties of N-(furan-2-ylmethyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine?
N-(furan-2-ylmethyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 307.28 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 21003570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).