N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-morpholin-4-ylethanesulfonamide

C19H21FN6O3S — CID 72703727

IUPACN-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-morpholin-4-ylethanesulfonamide
SMILESNc1ncnc2ccc(-c3cc(F)cc(NS(=O)(=O)CCN4CCOCC4)c3)nc12
InChIInChI=1S/C19H21FN6O3S/c20-14-9-13(16-1-2-17-18(24-16)19(21)23-12-22-17)10-15(11-14)25-30(27,28)8-5-26-3-6-29-7-4-26/h1-2,9-12,25H,3-8H2,(H2,21,22,23)
InChIKeyCGYPKEDUALZFMZ-UHFFFAOYSA-N
MW432.48 g/mol
LogP1.49
Rot. Bonds6

About N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-morpholin-4-ylethanesulfonamide

N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-morpholin-4-ylethanesulfonamide (PubChem CID 72703727) has the molecular formula C19H21FN6O3S and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-morpholin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-morpholin-4-ylethanesulfonamide
PubChem CID72703727
Molecular FormulaC19H21FN6O3S
Molecular Weight432.48 g/mol
Exact Mass432.14
IUPAC NameN-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-morpholin-4-ylethanesulfonamide
SMILESNc1ncnc2ccc(-c3cc(F)cc(NS(=O)(=O)CCN4CCOCC4)c3)nc12
InChIInChI=1S/C19H21FN6O3S/c20-14-9-13(16-1-2-17-18(24-16)19(21)23-12-22-17)10-15(11-14)25-30(27,28)8-5-26-3-6-29-7-4-26/h1-2,9-12,25H,3-8H2,(H2,21,22,23)
InChIKeyCGYPKEDUALZFMZ-UHFFFAOYSA-N
XLogP1.49
TPSA123.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-morpholin-4-ylethanesulfonamide?
The IUPAC name of N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-morpholin-4-ylethanesulfonamide (CID 72703727) is N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-morpholin-4-ylethanesulfonamide.
What is the SMILES notation for N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-morpholin-4-ylethanesulfonamide?
The canonical SMILES for N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-morpholin-4-ylethanesulfonamide is Nc1ncnc2ccc(-c3cc(F)cc(NS(=O)(=O)CCN4CCOCC4)c3)nc12.
What is the InChIKey of N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-morpholin-4-ylethanesulfonamide?
The InChIKey is CGYPKEDUALZFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O3S/c20-14-9-13(16-1-2-17-18(24-16)19(21)23-12-22-17)10-15(11-14)25-30(27,28)8-5-26-3-6-29-7-4-26/h1-2,9-12,25H,3-8H2,(H2,21,22,23).
What are the key properties of N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-morpholin-4-ylethanesulfonamide?
N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-morpholin-4-ylethanesulfonamide has a molecular weight of 432.48 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-morpholin-4-ylethanesulfonamide is sourced from PubChem (CID 72703727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).