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

C20H18F3N7O — CID 155341059

IUPAC8-methoxy-6-(5-methylimidazol-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine
SMILESCOc1cc(-n2cncc2C)cc2c(N[C@H](C)c3cnc(C(F)(F)F)nc3)ncnc12
InChIInChI=1S/C20H18F3N7O/c1-11-6-24-10-30(11)14-4-15-17(16(5-14)31-3)27-9-28-18(15)29-12(2)13-7-25-19(26-8-13)20(21,22)23/h4-10,12H,1-3H3,(H,27,28,29)/t12-/m1/s1
InChIKeyLQAFRGKROOSWRG-GFCCVEGCSA-N
MW429.41 g/mol
LogP4.11
Rot. Bonds5

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

8-methoxy-6-(5-methylimidazol-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine (PubChem CID 155341059) has the molecular formula C20H18F3N7O and a molecular weight of 429.41 g/mol. Its IUPAC name is 8-methoxy-6-(5-methylimidazol-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name8-methoxy-6-(5-methylimidazol-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine
PubChem CID155341059
Molecular FormulaC20H18F3N7O
Molecular Weight429.41 g/mol
Exact Mass429.15
IUPAC Name8-methoxy-6-(5-methylimidazol-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine
SMILESCOc1cc(-n2cncc2C)cc2c(N[C@H](C)c3cnc(C(F)(F)F)nc3)ncnc12
InChIInChI=1S/C20H18F3N7O/c1-11-6-24-10-30(11)14-4-15-17(16(5-14)31-3)27-9-28-18(15)29-12(2)13-7-25-19(26-8-13)20(21,22)23/h4-10,12H,1-3H3,(H,27,28,29)/t12-/m1/s1
InChIKeyLQAFRGKROOSWRG-GFCCVEGCSA-N
XLogP4.11
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-(5-methylimidazol-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine?
The IUPAC name of 8-methoxy-6-(5-methylimidazol-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine (CID 155341059) is 8-methoxy-6-(5-methylimidazol-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine.
What is the SMILES notation for 8-methoxy-6-(5-methylimidazol-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine?
The canonical SMILES for 8-methoxy-6-(5-methylimidazol-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine is COc1cc(-n2cncc2C)cc2c(N[C@H](C)c3cnc(C(F)(F)F)nc3)ncnc12.
What is the InChIKey of 8-methoxy-6-(5-methylimidazol-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine?
The InChIKey is LQAFRGKROOSWRG-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H18F3N7O/c1-11-6-24-10-30(11)14-4-15-17(16(5-14)31-3)27-9-28-18(15)29-12(2)13-7-25-19(26-8-13)20(21,22)23/h4-10,12H,1-3H3,(H,27,28,29)/t12-/m1/s1.
What are the key properties of 8-methoxy-6-(5-methylimidazol-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine?
8-methoxy-6-(5-methylimidazol-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine has a molecular weight of 429.41 g/mol, XLogP of 4.11, 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-methylimidazol-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 155341059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).