N-[3-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)phenyl]-2,2,2-trifluoroethanesulfonamide

C17H16F3N5O3S — CID 24958890

IUPACN-[3-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)phenyl]-2,2,2-trifluoroethanesulfonamide
SMILESCCOc1nc(N)nc2ccc(-c3cccc(NS(=O)(=O)CC(F)(F)F)c3)nc12
InChIInChI=1S/C17H16F3N5O3S/c1-2-28-15-14-13(23-16(21)24-15)7-6-12(22-14)10-4-3-5-11(8-10)25-29(26,27)9-17(18,19)20/h3-8,25H,2,9H2,1H3,(H2,21,23,24)
InChIKeyHWPPHJDZNVWCCK-UHFFFAOYSA-N
MW427.41 g/mol
LogP2.98
Rot. Bonds6

About N-[3-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)phenyl]-2,2,2-trifluoroethanesulfonamide

N-[3-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)phenyl]-2,2,2-trifluoroethanesulfonamide (PubChem CID 24958890) has the molecular formula C17H16F3N5O3S and a molecular weight of 427.41 g/mol. Its IUPAC name is N-[3-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)phenyl]-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)phenyl]-2,2,2-trifluoroethanesulfonamide
PubChem CID24958890
Molecular FormulaC17H16F3N5O3S
Molecular Weight427.41 g/mol
Exact Mass427.09
IUPAC NameN-[3-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)phenyl]-2,2,2-trifluoroethanesulfonamide
SMILESCCOc1nc(N)nc2ccc(-c3cccc(NS(=O)(=O)CC(F)(F)F)c3)nc12
InChIInChI=1S/C17H16F3N5O3S/c1-2-28-15-14-13(23-16(21)24-15)7-6-12(22-14)10-4-3-5-11(8-10)25-29(26,27)9-17(18,19)20/h3-8,25H,2,9H2,1H3,(H2,21,23,24)
InChIKeyHWPPHJDZNVWCCK-UHFFFAOYSA-N
XLogP2.98
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)phenyl]-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of N-[3-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)phenyl]-2,2,2-trifluoroethanesulfonamide (CID 24958890) is N-[3-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)phenyl]-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for N-[3-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)phenyl]-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for N-[3-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)phenyl]-2,2,2-trifluoroethanesulfonamide is CCOc1nc(N)nc2ccc(-c3cccc(NS(=O)(=O)CC(F)(F)F)c3)nc12.
What is the InChIKey of N-[3-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)phenyl]-2,2,2-trifluoroethanesulfonamide?
The InChIKey is HWPPHJDZNVWCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O3S/c1-2-28-15-14-13(23-16(21)24-15)7-6-12(22-14)10-4-3-5-11(8-10)25-29(26,27)9-17(18,19)20/h3-8,25H,2,9H2,1H3,(H2,21,23,24).
What are the key properties of N-[3-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)phenyl]-2,2,2-trifluoroethanesulfonamide?
N-[3-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)phenyl]-2,2,2-trifluoroethanesulfonamide has a molecular weight of 427.41 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)phenyl]-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 24958890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).