8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine

C19H17F3N8O — CID 155340059

IUPAC8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine
SMILESCOc1cc(-c2ncn(C)n2)cc2c(NC(C)c3cnc(C(F)(F)F)nc3)ncnc12
InChIInChI=1S/C19H17F3N8O/c1-10(12-6-23-18(24-7-12)19(20,21)22)28-17-13-4-11(16-27-9-30(2)29-16)5-14(31-3)15(13)25-8-26-17/h4-10H,1-3H3,(H,25,26,28)
InChIKeyAGAVFKLTXCAQGM-UHFFFAOYSA-N
MW430.39 g/mol
LogP3.42
Rot. Bonds5

About 8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine

8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine (PubChem CID 155340059) has the molecular formula C19H17F3N8O and a molecular weight of 430.39 g/mol. Its IUPAC name is 8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine
PubChem CID155340059
Molecular FormulaC19H17F3N8O
Molecular Weight430.39 g/mol
Exact Mass430.15
IUPAC Name8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine
SMILESCOc1cc(-c2ncn(C)n2)cc2c(NC(C)c3cnc(C(F)(F)F)nc3)ncnc12
InChIInChI=1S/C19H17F3N8O/c1-10(12-6-23-18(24-7-12)19(20,21)22)28-17-13-4-11(16-27-9-30(2)29-16)5-14(31-3)15(13)25-8-26-17/h4-10H,1-3H3,(H,25,26,28)
InChIKeyAGAVFKLTXCAQGM-UHFFFAOYSA-N
XLogP3.42
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine?
The IUPAC name of 8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine (CID 155340059) is 8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine.
What is the SMILES notation for 8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine?
The canonical SMILES for 8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine is COc1cc(-c2ncn(C)n2)cc2c(NC(C)c3cnc(C(F)(F)F)nc3)ncnc12.
What is the InChIKey of 8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine?
The InChIKey is AGAVFKLTXCAQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N8O/c1-10(12-6-23-18(24-7-12)19(20,21)22)28-17-13-4-11(16-27-9-30(2)29-16)5-14(31-3)15(13)25-8-26-17/h4-10H,1-3H3,(H,25,26,28).
What are the key properties of 8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine?
8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine has a molecular weight of 430.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 155340059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).