8-methoxy-6-(5-methylpyrimidin-2-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine

C21H18F3N7O — CID 175224339

IUPAC8-methoxy-6-(5-methylpyrimidin-2-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine
SMILESCOc1cc(-c2ncc(C)cn2)cc2c(NC(C)c3cnc(C(F)(F)F)nc3)ncnc12
InChIInChI=1S/C21H18F3N7O/c1-11-6-25-18(26-7-11)13-4-15-17(16(5-13)32-3)29-10-30-19(15)31-12(2)14-8-27-20(28-9-14)21(22,23)24/h4-10,12H,1-3H3,(H,29,30,31)
InChIKeyQWOMEONAAGEJPD-UHFFFAOYSA-N
MW441.42 g/mol
LogP4.39
Rot. Bonds5

About 8-methoxy-6-(5-methylpyrimidin-2-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine

8-methoxy-6-(5-methylpyrimidin-2-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine (PubChem CID 175224339) has the molecular formula C21H18F3N7O and a molecular weight of 441.42 g/mol. Its IUPAC name is 8-methoxy-6-(5-methylpyrimidin-2-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name8-methoxy-6-(5-methylpyrimidin-2-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine
PubChem CID175224339
Molecular FormulaC21H18F3N7O
Molecular Weight441.42 g/mol
Exact Mass441.15
IUPAC Name8-methoxy-6-(5-methylpyrimidin-2-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine
SMILESCOc1cc(-c2ncc(C)cn2)cc2c(NC(C)c3cnc(C(F)(F)F)nc3)ncnc12
InChIInChI=1S/C21H18F3N7O/c1-11-6-25-18(26-7-11)13-4-15-17(16(5-13)32-3)29-10-30-19(15)31-12(2)14-8-27-20(28-9-14)21(22,23)24/h4-10,12H,1-3H3,(H,29,30,31)
InChIKeyQWOMEONAAGEJPD-UHFFFAOYSA-N
XLogP4.39
TPSA98.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine
CID 155340059
6-bromo-8-methoxy-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine
CID 155339984
8-methoxy-6-(5-methylimidazol-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine
CID 155341059
8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(5-methylpyrimidin-2-yl)quinazolin-4-amine
CID 164822986
6-(5-fluoropyrimidin-2-yl)-8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]quinazolin-4-amine
CID 155339921
8-methoxy-6-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]quinazolin-4-amine
CID 175224351
methyl 1-[[2-[6-(4-fluorophenyl)-4-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethylamino]quinazolin-8-yl]oxyacetyl]amino]cyclopropane-1-carboxylate
CID 175465266
6-(4-fluorophenyl)-8-[(3R)-oxolan-3-yl]oxy-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine
CID 175224330
6-(4-fluorophenyl)-4-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethylamino]quinazoline-8-sulfonamide
CID 175224338
2-[6-(4-fluorophenyl)-4-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethylamino]quinazolin-8-yl]oxy-1-pyrrolidin-1-ylethanone
CID 155340197
2-[6-(4-fluorophenyl)-4-[[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]amino]quinazolin-8-yl]oxy-1-pyrrolidin-1-ylethanone
CID 155340195
[6-(4-fluorophenyl)-4-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethylamino]quinazolin-8-yl]oxymethyl cyclopropanecarboxylate
CID 175465303

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-(5-methylpyrimidin-2-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine?
The IUPAC name of 8-methoxy-6-(5-methylpyrimidin-2-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine (CID 175224339) is 8-methoxy-6-(5-methylpyrimidin-2-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine.
What is the SMILES notation for 8-methoxy-6-(5-methylpyrimidin-2-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine?
The canonical SMILES for 8-methoxy-6-(5-methylpyrimidin-2-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine is COc1cc(-c2ncc(C)cn2)cc2c(NC(C)c3cnc(C(F)(F)F)nc3)ncnc12.
What is the InChIKey of 8-methoxy-6-(5-methylpyrimidin-2-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine?
The InChIKey is QWOMEONAAGEJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N7O/c1-11-6-25-18(26-7-11)13-4-15-17(16(5-13)32-3)29-10-30-19(15)31-12(2)14-8-27-20(28-9-14)21(22,23)24/h4-10,12H,1-3H3,(H,29,30,31).
What are the key properties of 8-methoxy-6-(5-methylpyrimidin-2-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine?
8-methoxy-6-(5-methylpyrimidin-2-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine has a molecular weight of 441.42 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-(5-methylpyrimidin-2-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 175224339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).