2-amino-N-[3-ethyl-8-methoxy-4-oxo-7-(trifluoromethoxy)quinazolin-2-yl]pyrimidine-5-carboxamide

C17H15F3N6O4 — CID 154973773

IUPAC2-amino-N-[3-ethyl-8-methoxy-4-oxo-7-(trifluoromethoxy)quinazolin-2-yl]pyrimidine-5-carboxamide
SMILESCCn1c(NC(=O)c2cnc(N)nc2)nc2c(OC)c(OC(F)(F)F)ccc2c1=O
InChIInChI=1S/C17H15F3N6O4/c1-3-26-14(28)9-4-5-10(30-17(18,19)20)12(29-2)11(9)24-16(26)25-13(27)8-6-22-15(21)23-7-8/h4-7H,3H2,1-2H3,(H2,21,22,23)(H,24,25,27)
InChIKeyMNBDGHZDJYKJSN-UHFFFAOYSA-N
MW424.34 g/mol
LogP1.95
Rot. Bonds5

About 2-amino-N-[3-ethyl-8-methoxy-4-oxo-7-(trifluoromethoxy)quinazolin-2-yl]pyrimidine-5-carboxamide

2-amino-N-[3-ethyl-8-methoxy-4-oxo-7-(trifluoromethoxy)quinazolin-2-yl]pyrimidine-5-carboxamide (PubChem CID 154973773) has the molecular formula C17H15F3N6O4 and a molecular weight of 424.34 g/mol. Its IUPAC name is 2-amino-N-[3-ethyl-8-methoxy-4-oxo-7-(trifluoromethoxy)quinazolin-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-ethyl-8-methoxy-4-oxo-7-(trifluoromethoxy)quinazolin-2-yl]pyrimidine-5-carboxamide
PubChem CID154973773
Molecular FormulaC17H15F3N6O4
Molecular Weight424.34 g/mol
Exact Mass424.11
IUPAC Name2-amino-N-[3-ethyl-8-methoxy-4-oxo-7-(trifluoromethoxy)quinazolin-2-yl]pyrimidine-5-carboxamide
SMILESCCn1c(NC(=O)c2cnc(N)nc2)nc2c(OC)c(OC(F)(F)F)ccc2c1=O
InChIInChI=1S/C17H15F3N6O4/c1-3-26-14(28)9-4-5-10(30-17(18,19)20)12(29-2)11(9)24-16(26)25-13(27)8-6-22-15(21)23-7-8/h4-7H,3H2,1-2H3,(H2,21,22,23)(H,24,25,27)
InChIKeyMNBDGHZDJYKJSN-UHFFFAOYSA-N
XLogP1.95
TPSA134.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-ethyl-8-methoxy-4-oxo-7-(trifluoromethoxy)quinazolin-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[3-ethyl-8-methoxy-4-oxo-7-(trifluoromethoxy)quinazolin-2-yl]pyrimidine-5-carboxamide (CID 154973773) is 2-amino-N-[3-ethyl-8-methoxy-4-oxo-7-(trifluoromethoxy)quinazolin-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[3-ethyl-8-methoxy-4-oxo-7-(trifluoromethoxy)quinazolin-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[3-ethyl-8-methoxy-4-oxo-7-(trifluoromethoxy)quinazolin-2-yl]pyrimidine-5-carboxamide is CCn1c(NC(=O)c2cnc(N)nc2)nc2c(OC)c(OC(F)(F)F)ccc2c1=O.
What is the InChIKey of 2-amino-N-[3-ethyl-8-methoxy-4-oxo-7-(trifluoromethoxy)quinazolin-2-yl]pyrimidine-5-carboxamide?
The InChIKey is MNBDGHZDJYKJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O4/c1-3-26-14(28)9-4-5-10(30-17(18,19)20)12(29-2)11(9)24-16(26)25-13(27)8-6-22-15(21)23-7-8/h4-7H,3H2,1-2H3,(H2,21,22,23)(H,24,25,27).
What are the key properties of 2-amino-N-[3-ethyl-8-methoxy-4-oxo-7-(trifluoromethoxy)quinazolin-2-yl]pyrimidine-5-carboxamide?
2-amino-N-[3-ethyl-8-methoxy-4-oxo-7-(trifluoromethoxy)quinazolin-2-yl]pyrimidine-5-carboxamide has a molecular weight of 424.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-ethyl-8-methoxy-4-oxo-7-(trifluoromethoxy)quinazolin-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 154973773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).