1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(4-methoxyphenyl)-N,2,6-trimethylfuro[2,3-d]pyrimidin-4-amine;hydrochloride

2.1.2 InChI

InChI=1S/C16H17N3O2.ClH/c1-10-9-14-15(17-11(2)18-16(14)21-10)19(3)12-5-7-13(20-4)8-6-12;/h5-9H,1-4H3;1H

2.1.3 InChI Key

WZIIUILMMRGPJL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC2=C(N=C(N=C2O1)C)N(C)C3=CC=C(C=C3)OC.Cl

2.2 Other Identifiers

2.2.1 UNII

G589DDE7YB

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Flag-003

2. 1614235-14-1

3. Furo(2,3-d)pyrimidin-4-amine, N-(4-methoxyphenyl)-n,2,6-trimethyl-, Hydrochloride (1:1)

4. N-(4-methoxyphenyl)-n,2,6-trimethylfuro(2,3-d)pyrimidin-4-amine Hydrochloride

5. Aag-1 Hydrochloride

6. Unii-g589dde7yb

7. Chembl3298000

8. Sb19703

2.4 Create Date

2015-03-11

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₈ClN₃O₂
Molecular Weight	319.78 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	51.4
Heavy Atom Count	22
Formal Charge	0
Complexity	346
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

FLAG-003