6-bromo-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-8-(trifluoromethoxy)quinazolin-4-amine

C19H13BrF3N7O — CID 166567944

IUPAC6-bromo-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-8-(trifluoromethoxy)quinazolin-4-amine
SMILESCC(Nc1ncnc2c(OC(F)(F)F)cc(Br)cc12)c1nccnc1-c1ncccn1
InChIInChI=1S/C19H13BrF3N7O/c1-10(14-16(25-6-5-24-14)18-26-3-2-4-27-18)30-17-12-7-11(20)8-13(31-19(21,22)23)15(12)28-9-29-17/h2-10H,1H3,(H,28,29,30)
InChIKeyXTTBKMBLNTYKAD-UHFFFAOYSA-N
MW492.26 g/mol
LogP4.71
Rot. Bonds5

About 6-bromo-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-8-(trifluoromethoxy)quinazolin-4-amine

6-bromo-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-8-(trifluoromethoxy)quinazolin-4-amine (PubChem CID 166567944) has the molecular formula C19H13BrF3N7O and a molecular weight of 492.26 g/mol. Its IUPAC name is 6-bromo-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-8-(trifluoromethoxy)quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-8-(trifluoromethoxy)quinazolin-4-amine
PubChem CID166567944
Molecular FormulaC19H13BrF3N7O
Molecular Weight492.26 g/mol
Exact Mass491.03
IUPAC Name6-bromo-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-8-(trifluoromethoxy)quinazolin-4-amine
SMILESCC(Nc1ncnc2c(OC(F)(F)F)cc(Br)cc12)c1nccnc1-c1ncccn1
InChIInChI=1S/C19H13BrF3N7O/c1-10(14-16(25-6-5-24-14)18-26-3-2-4-27-18)30-17-12-7-11(20)8-13(31-19(21,22)23)15(12)28-9-29-17/h2-10H,1H3,(H,28,29,30)
InChIKeyXTTBKMBLNTYKAD-UHFFFAOYSA-N
XLogP4.71
TPSA98.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.26
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-bromo-8-(difluoromethoxy)-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]quinazolin-4-amine
CID 166568131
8-chloro-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-6-(trifluoromethyl)quinazolin-4-amine
CID 166567992
6-bromo-8-methoxy-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine
CID 155339984
8-bromo-N-[1-[3-[5-(difluoromethoxy)-2-pyridinyl]pyrazin-2-yl]ethyl]-6-(trifluoromethyl)quinazolin-4-amine
CID 166567899
6-bromo-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-8-(trifluoromethyl)quinazolin-4-amine
CID 166567963
2-[3-[1-[[6-chloro-8-(trifluoromethyl)quinazolin-4-yl]amino]ethyl]pyrazin-2-yl]-1,3-thiazole-5-carbonitrile
CID 166541976
6,8-dibromo-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]quinazolin-4-amine
CID 166568069
6-bromo-4-chloro-3-methyl-8-(trifluoromethoxy)quinoline
CID 171373322
8-bromo-6-chloro-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]quinazolin-4-amine
CID 166568044
8-methoxy-6-(5-methylpyrimidin-2-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine
CID 175224339
3-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 103193591
6-bromo-N-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]quinazolin-4-amine
CID 175538476

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-8-(trifluoromethoxy)quinazolin-4-amine?
The IUPAC name of 6-bromo-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-8-(trifluoromethoxy)quinazolin-4-amine (CID 166567944) is 6-bromo-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-8-(trifluoromethoxy)quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-8-(trifluoromethoxy)quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-8-(trifluoromethoxy)quinazolin-4-amine is CC(Nc1ncnc2c(OC(F)(F)F)cc(Br)cc12)c1nccnc1-c1ncccn1.
What is the InChIKey of 6-bromo-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-8-(trifluoromethoxy)quinazolin-4-amine?
The InChIKey is XTTBKMBLNTYKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrF3N7O/c1-10(14-16(25-6-5-24-14)18-26-3-2-4-27-18)30-17-12-7-11(20)8-13(31-19(21,22)23)15(12)28-9-29-17/h2-10H,1H3,(H,28,29,30).
What are the key properties of 6-bromo-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-8-(trifluoromethoxy)quinazolin-4-amine?
6-bromo-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-8-(trifluoromethoxy)quinazolin-4-amine has a molecular weight of 492.26 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-8-(trifluoromethoxy)quinazolin-4-amine is sourced from PubChem (CID 166567944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).